3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol

C18H23N7O — CID 70794974

IUPAC3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol
SMILESNC1CN(Cc2ccn3ncnc(Nc4cccc(O)c4)c23)CC[C@H]1N
InChIInChI=1S/C18H23N7O/c19-15-5-6-24(10-16(15)20)9-12-4-7-25-17(12)18(21-11-22-25)23-13-2-1-3-14(26)8-13/h1-4,7-8,11,15-16,26H,5-6,9-10,19-20H2,(H,21,22,23)/t15-,16?/m1/s1
InChIKeySIZHOFTVTVINPE-AAFJCEBUSA-N
MW353.43 g/mol
LogP1.04
Rot. Bonds4

About 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol

3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol (PubChem CID 70794974) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol
PubChem CID70794974
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol
SMILESNC1CN(Cc2ccn3ncnc(Nc4cccc(O)c4)c23)CC[C@H]1N
InChIInChI=1S/C18H23N7O/c19-15-5-6-24(10-16(15)20)9-12-4-7-25-17(12)18(21-11-22-25)23-13-2-1-3-14(26)8-13/h1-4,7-8,11,15-16,26H,5-6,9-10,19-20H2,(H,21,22,23)/t15-,16?/m1/s1
InChIKeySIZHOFTVTVINPE-AAFJCEBUSA-N
XLogP1.04
TPSA117.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol with MolForge

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Related Compounds

Bms-690514
CID 11349170
3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
3-{[2-(1H-Benzimidazol-1-YL)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-YL]amino}-4-methylphenol
CID 9547983
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
3-({5-[(4-Amino-4-Methylpiperidin-1-Yl)methyl]pyrrolo[2,1-F][1,2,4]triazin-4-Yl}amino)-5-Bromophenol
CID 135566890
[4-(3-Hydroxy-4-methyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-carbamic acid 3-piperidin-1-yl-propyl ester
CID 44389975
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol?
The IUPAC name of 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol (CID 70794974) is 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol?
The canonical SMILES for 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol is NC1CN(Cc2ccn3ncnc(Nc4cccc(O)c4)c23)CC[C@H]1N.
What is the InChIKey of 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol?
The InChIKey is SIZHOFTVTVINPE-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H23N7O/c19-15-5-6-24(10-16(15)20)9-12-4-7-25-17(12)18(21-11-22-25)23-13-2-1-3-14(26)8-13/h1-4,7-8,11,15-16,26H,5-6,9-10,19-20H2,(H,21,22,23)/t15-,16?/m1/s1.
What are the key properties of 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol?
3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol has a molecular weight of 353.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[[(4R)-3,4-diaminopiperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenol is sourced from PubChem (CID 70794974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).