1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea

C19H20N6O — CID 126785941

IUPAC1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea
SMILESCn1cnc(-c2ccc(NC(=O)N(Cc3cccnc3)C3CC3)cc2)n1
InChIInChI=1S/C19H20N6O/c1-24-13-21-18(23-24)15-4-6-16(7-5-15)22-19(26)25(17-8-9-17)12-14-3-2-10-20-11-14/h2-7,10-11,13,17H,8-9,12H2,1H3,(H,22,26)
InChIKeyNZVOLOSXSSLFKV-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.07
Rot. Bonds5

About 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea

1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 126785941) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea
PubChem CID126785941
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea
SMILESCn1cnc(-c2ccc(NC(=O)N(Cc3cccnc3)C3CC3)cc2)n1
InChIInChI=1S/C19H20N6O/c1-24-13-21-18(23-24)15-4-6-16(7-5-15)22-19(26)25(17-8-9-17)12-14-3-2-10-20-11-14/h2-7,10-11,13,17H,8-9,12H2,1H3,(H,22,26)
InChIKeyNZVOLOSXSSLFKV-UHFFFAOYSA-N
XLogP3.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
CID 118795485
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 126792281
N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
CID 75493389
1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 99714676
3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
CID 24732225
1-cyclopropyl-3-(4-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 42760040
tert-butyl N-[[4-[4-[[(4-benzylphenyl)carbamoyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]methyl]-N-cyclohexylcarbamate
CID 139943897
tert-butyl N-cyclohexyl-N-[[4-[4-[[[4-(furan-2-yl)phenyl]carbamoyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]methyl]carbamate
CID 139944151
1-cyclopropyl-3-(2-methyl-4-nitrophenyl)-1-(pyridin-3-ylmethyl)urea
CID 86797034
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea (CID 126785941) is 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea is Cn1cnc(-c2ccc(NC(=O)N(Cc3cccnc3)C3CC3)cc2)n1.
What is the InChIKey of 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is NZVOLOSXSSLFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24-13-21-18(23-24)15-4-6-16(7-5-15)22-19(26)25(17-8-9-17)12-14-3-2-10-20-11-14/h2-7,10-11,13,17H,8-9,12H2,1H3,(H,22,26).
What are the key properties of 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea?
1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 348.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 126785941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).