1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

C18H19N5O — CID 75494169

IUPAC1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCC1CC1C(NC(=O)Nc1nnc2ccccn12)c1ccccc1
InChIInChI=1S/C18H19N5O/c1-12-11-14(12)16(13-7-3-2-4-8-13)19-18(24)20-17-22-21-15-9-5-6-10-23(15)17/h2-10,12,14,16H,11H2,1H3,(H2,19,20,22,24)
InChIKeyRVWCIXWSMSHDPO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds4

About 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 75494169) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID75494169
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCC1CC1C(NC(=O)Nc1nnc2ccccn12)c1ccccc1
InChIInChI=1S/C18H19N5O/c1-12-11-14(12)16(13-7-3-2-4-8-13)19-18(24)20-17-22-21-15-9-5-6-10-23(15)17/h2-10,12,14,16H,11H2,1H3,(H2,19,20,22,24)
InChIKeyRVWCIXWSMSHDPO-UHFFFAOYSA-N
XLogP3.25
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-2-methylsulfanyl-1-phenylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95773517
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95774144
1-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 167789497
1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 97225076
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60940994
1-[(S)-cyclobutyl(phenyl)methyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 95310450
1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide
CID 157012055
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 95932644
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
(2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide
CID 129492540
(2S,3S)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide
CID 129492539

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (CID 75494169) is 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is CC1CC1C(NC(=O)Nc1nnc2ccccn12)c1ccccc1.
What is the InChIKey of 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is RVWCIXWSMSHDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-11-14(12)16(13-7-3-2-4-8-13)19-18(24)20-17-22-21-15-9-5-6-10-23(15)17/h2-10,12,14,16H,11H2,1H3,(H2,19,20,22,24).
What are the key properties of 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 321.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 75494169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).