1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

C16H13F3N6O — CID 119105072

IUPAC1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1cn(-c2ccncc2)nn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)13-3-1-2-4-14(13)22-15(26)21-9-11-10-25(24-23-11)12-5-7-20-8-6-12/h1-8,10H,9H2,(H2,21,22,26)
InChIKeyVSVKBMNWPKNWCQ-UHFFFAOYSA-N
MW362.32 g/mol
LogP3.00
Rot. Bonds4

About 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 119105072) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID119105072
Molecular FormulaC16H13F3N6O
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC Name1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1cn(-c2ccncc2)nn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)13-3-1-2-4-14(13)22-15(26)21-9-11-10-25(24-23-11)12-5-7-20-8-6-12/h1-8,10H,9H2,(H2,21,22,26)
InChIKeyVSVKBMNWPKNWCQ-UHFFFAOYSA-N
XLogP3.00
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]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

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
1-[4-[4-(3-methylbutyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455307
1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91816064
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide
CID 121195947
3-phenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]butanamide
CID 121196031
1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275949
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide
CID 166325521
1-quinolin-5-yl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275943

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 119105072) is 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCc1cn(-c2ccncc2)nn1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is VSVKBMNWPKNWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O/c17-16(18,19)13-3-1-2-4-14(13)22-15(26)21-9-11-10-25(24-23-11)12-5-7-20-8-6-12/h1-8,10H,9H2,(H2,21,22,26).
What are the key properties of 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 362.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 119105072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).