1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

C18H17N9O — CID 47040627

IUPAC1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESCc1nccn1-c1cc(CNC(=O)Nc2ccc(-n3cncn3)nc2)ccn1
InChIInChI=1S/C18H17N9O/c1-13-20-6-7-26(13)17-8-14(4-5-21-17)9-23-18(28)25-15-2-3-16(22-10-15)27-12-19-11-24-27/h2-8,10-12H,9H2,1H3,(H2,23,25,28)
InChIKeyPIJQMEKXEDHZQF-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.87
Rot. Bonds5

About 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (PubChem CID 47040627) has the molecular formula C18H17N9O and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
PubChem CID47040627
Molecular FormulaC18H17N9O
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESCc1nccn1-c1cc(CNC(=O)Nc2ccc(-n3cncn3)nc2)ccn1
InChIInChI=1S/C18H17N9O/c1-13-20-6-7-26(13)17-8-14(4-5-21-17)9-23-18(28)25-15-2-3-16(22-10-15)27-12-19-11-24-27/h2-8,10-12H,9H2,1H3,(H2,23,25,28)
InChIKeyPIJQMEKXEDHZQF-UHFFFAOYSA-N
XLogP1.87
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050392
1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55819530
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94815212
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
CID 47038251
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55743443
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94166826
1-(4-bromo-3-methylphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55696253
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 167749837
3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (CID 47040627) is 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is Cc1nccn1-c1cc(CNC(=O)Nc2ccc(-n3cncn3)nc2)ccn1.
What is the InChIKey of 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The InChIKey is PIJQMEKXEDHZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9O/c1-13-20-6-7-26(13)17-8-14(4-5-21-17)9-23-18(28)25-15-2-3-16(22-10-15)27-12-19-11-24-27/h2-8,10-12H,9H2,1H3,(H2,23,25,28).
What are the key properties of 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea has a molecular weight of 375.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 47040627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).