methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine

C60H92N22O4 — CID 157092111

IUPACmethane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine
SMILESC.C.C.Cc1nc(N2CCOCC2)c2cccn2n1.NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1.NC1CCNCC1.Nc1cccnc1.O=C(Nc1cccnc1)NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1
InChIInChI=1S/C21H26N8O2.C15H22N6O.C11H14N4O.C5H12N2.C5H6N2.3CH4/c30-21(24-17-3-1-7-22-15-17)23-16-5-9-28(10-6-16)20-25-19(27-11-13-31-14-12-27)18-4-2-8-29(18)26-20;16-12-3-6-20(7-4-12)15-17-14(19-8-10-22-11-9-19)13-2-1-5-21(13)18-15;1-9-12-11(14-5-7-16-8-6-14)10-3-2-4-15(10)13-9;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;;;/h1-4,7-8,15-16H,5-6,9-14H2,(H2,23,24,30);1-2,5,12H,3-4,6-11,16H2;2-4H,5-8H2,1H3;5,7H,1-4,6H2;1-4H,6H2;3*1H4
InChIKeyAETZCLFYGGKRQC-UHFFFAOYSA-N
MW1185.55 g/mol
LogP5.39
Rot. Bonds7

About methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine

methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine (PubChem CID 157092111) has the molecular formula C60H92N22O4 and a molecular weight of 1185.55 g/mol. Its IUPAC name is methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine.

Molecular Properties

Compound Namemethane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine
PubChem CID157092111
Molecular FormulaC60H92N22O4
Molecular Weight1185.55 g/mol
Exact Mass1184.77
IUPAC Namemethane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine
SMILESC.C.C.Cc1nc(N2CCOCC2)c2cccn2n1.NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1.NC1CCNCC1.Nc1cccnc1.O=C(Nc1cccnc1)NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1
InChIInChI=1S/C21H26N8O2.C15H22N6O.C11H14N4O.C5H12N2.C5H6N2.3CH4/c30-21(24-17-3-1-7-22-15-17)23-16-5-9-28(10-6-16)20-25-19(27-11-13-31-14-12-27)18-4-2-8-29(18)26-20;16-12-3-6-20(7-4-12)15-17-14(19-8-10-22-11-9-19)13-2-1-5-21(13)18-15;1-9-12-11(14-5-7-16-8-6-14)10-3-2-4-15(10)13-9;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;;;/h1-4,7-8,15-16H,5-6,9-14H2,(H2,23,24,30);1-2,5,12H,3-4,6-11,16H2;2-4H,5-8H2,1H3;5,7H,1-4,6H2;1-4H,6H2;3*1H4
InChIKeyAETZCLFYGGKRQC-UHFFFAOYSA-N
XLogP5.39
TPSA291.46 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001185.55
LogP ≤ 55.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine with MolForge

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Related Compounds

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6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
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1-(2-ethoxyethyl)-3-methyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11682414
US9266891, III-28
CID 73891130
2-methyl-6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
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3-(Benzotriazol-1-Yl)-5-[1-Methyl-5-[(1~{s})-1-Morpholin-4-Ylethyl]-1,2,4-Triazol-3-Yl]pyrazin-2-Amine
CID 126480568
3-ethyl-5-(piperazin-1-yl)-1-(2-propoxyethyl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
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3-ethyl-1-(2-isopropoxyethyl)-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887484
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6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
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2-(2-methylpyrido[3,4-b]pyrazin-3-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 53374857

Frequently Asked Questions

What is the IUPAC name of methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine?
The IUPAC name of methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine (CID 157092111) is methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine.
What is the SMILES notation for methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine?
The canonical SMILES for methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine is C.C.C.Cc1nc(N2CCOCC2)c2cccn2n1.NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1.NC1CCNCC1.Nc1cccnc1.O=C(Nc1cccnc1)NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1.
What is the InChIKey of methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine?
The InChIKey is AETZCLFYGGKRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2.C15H22N6O.C11H14N4O.C5H12N2.C5H6N2.3CH4/c30-21(24-17-3-1-7-22-15-17)23-16-5-9-28(10-6-16)20-25-19(27-11-13-31-14-12-27)18-4-2-8-29(18)26-20;16-12-3-6-20(7-4-12)15-17-14(19-8-10-22-11-9-19)13-2-1-5-21(13)18-15;1-9-12-11(14-5-7-16-8-6-14)10-3-2-4-15(10)13-9;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;;;/h1-4,7-8,15-16H,5-6,9-14H2,(H2,23,24,30);1-2,5,12H,3-4,6-11,16H2;2-4H,5-8H2,1H3;5,7H,1-4,6H2;1-4H,6H2;3*1H4.
What are the key properties of methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine?
methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine has a molecular weight of 1185.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea;piperidin-4-amine;pyridin-3-amine is sourced from PubChem (CID 157092111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).