1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea

C15H20ClN7O — CID 118165591

IUPAC1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
SMILESNc1nc(N2CCC(CNC(=O)Nc3cccc(Cl)c3)CC2)n[nH]1
InChIInChI=1S/C15H20ClN7O/c16-11-2-1-3-12(8-11)19-15(24)18-9-10-4-6-23(7-5-10)14-20-13(17)21-22-14/h1-3,8,10H,4-7,9H2,(H2,18,19,24)(H3,17,20,21,22)
InChIKeyYPGYOGCCANTGBU-UHFFFAOYSA-N
MW349.83 g/mol
LogP2.08
Rot. Bonds4

About 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea

1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea (PubChem CID 118165591) has the molecular formula C15H20ClN7O and a molecular weight of 349.83 g/mol. Its IUPAC name is 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
PubChem CID118165591
Molecular FormulaC15H20ClN7O
Molecular Weight349.83 g/mol
Exact Mass349.14
IUPAC Name1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
SMILESNc1nc(N2CCC(CNC(=O)Nc3cccc(Cl)c3)CC2)n[nH]1
InChIInChI=1S/C15H20ClN7O/c16-11-2-1-3-12(8-11)19-15(24)18-9-10-4-6-23(7-5-10)14-20-13(17)21-22-14/h1-3,8,10H,4-7,9H2,(H2,18,19,24)(H3,17,20,21,22)
InChIKeyYPGYOGCCANTGBU-UHFFFAOYSA-N
XLogP2.08
TPSA111.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)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

N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine
CID 2730436
3-[4-(3-chlorophenyl)piperazino]-1H-1,2,4-triazol-5-amine
CID 1474429
5-[4-(4-chlorophenyl)piperazino]-1H-1,2,4-triazol-3-amine
CID 1485882
N-[3-(4-chloroanilino)-1H-1,2,4-triazol-5-yl]-N'-isopropylurea
CID 2747534
3-[4-[[2-chloro-4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267643
Tert-butyl 4-(3-(3,5-dichlorophenylamino)-1H-1,2,4-triazol-5-ylamino)piperidine-1-carboxylate
CID 78318172
N5-benzyl-N3-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 78318959
5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine
CID 78318173
1-{4-[5-(3,5-Dichloro-phenylamino)-2H-[1,2,4]triazol-3-ylamino]-piperidin-1-yl}-ethanone
CID 78318174
1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-(3,4-difluorophenyl)urea
CID 118165428
N~1~-(3-Chloro-4-fluorophenyl)-4-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)tetrahydro-1(2H)-pyridinecarboxamide
CID 163339704
N-(3-Chloro-4-fluorophenyl)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-YL)methyl]-1-pyrrolidinecarboxamide
CID 168016375

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea (CID 118165591) is 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea is Nc1nc(N2CCC(CNC(=O)Nc3cccc(Cl)c3)CC2)n[nH]1.
What is the InChIKey of 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea?
The InChIKey is YPGYOGCCANTGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN7O/c16-11-2-1-3-12(8-11)19-15(24)18-9-10-4-6-23(7-5-10)14-20-13(17)21-22-14/h1-3,8,10H,4-7,9H2,(H2,18,19,24)(H3,17,20,21,22).
What are the key properties of 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea?
1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea has a molecular weight of 349.83 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 118165591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).