1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea

C19H27N7O2 — CID 154797862

IUPAC1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea
SMILESCc1nnc2n1CC(NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1)CC2
InChIInChI=1S/C19H27N7O2/c1-12(2)21-19(28)22-15-6-4-14(5-7-15)10-20-18(27)23-16-8-9-17-25-24-13(3)26(17)11-16/h4-7,12,16H,8-11H2,1-3H3,(H2,20,23,27)(H2,21,22,28)
InChIKeyCUJWZLTXXVLBCY-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.93
Rot. Bonds5

About 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea

1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea (PubChem CID 154797862) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea
PubChem CID154797862
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea
SMILESCc1nnc2n1CC(NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1)CC2
InChIInChI=1S/C19H27N7O2/c1-12(2)21-19(28)22-15-6-4-14(5-7-15)10-20-18(27)23-16-8-9-17-25-24-13(3)26(17)11-16/h4-7,12,16H,8-11H2,1-3H3,(H2,20,23,27)(H2,21,22,28)
InChIKeyCUJWZLTXXVLBCY-UHFFFAOYSA-N
XLogP1.93
TPSA112.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea with MolForge

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Related Compounds

1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
CID 97343562
2-(cyclopropylmethylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 119730358
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 52511671
1-[4-[[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 109444190
2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46456745
tert-butyl N-[1-[N'-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729807
1-(furan-2-ylmethyl)-3-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
CID 91910732
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 86986258
1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
CID 155900026
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
1-[4-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111245469

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea?
The IUPAC name of 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea (CID 154797862) is 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea?
The canonical SMILES for 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea is Cc1nnc2n1CC(NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1)CC2.
What is the InChIKey of 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea?
The InChIKey is CUJWZLTXXVLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-12(2)21-19(28)22-15-6-4-14(5-7-15)10-20-18(27)23-16-8-9-17-25-24-13(3)26(17)11-16/h4-7,12,16H,8-11H2,1-3H3,(H2,20,23,27)(H2,21,22,28).
What are the key properties of 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea?
1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea has a molecular weight of 385.47 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea is sourced from PubChem (CID 154797862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).