2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide

C15H17Cl2N5O2 — CID 166615007

IUPAC2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc([C@H]2C[C@H](N)[C@@H](O)C2)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H17Cl2N5O2/c16-9-2-1-8(5-10(9)17)22-15(7-3-11(18)12(23)4-7)20-14(21-22)6-13(19)24/h1-2,5,7,11-12,23H,3-4,6,18H2,(H2,19,24)/t7-,11-,12-/m0/s1
InChIKeyOCXFHKGMSIGORQ-QILRFPOHSA-N
MW370.24 g/mol
LogP1.17
Rot. Bonds4

About 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide

2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 166615007) has the molecular formula C15H17Cl2N5O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID166615007
Molecular FormulaC15H17Cl2N5O2
Molecular Weight370.24 g/mol
Exact Mass369.08
IUPAC Name2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc([C@H]2C[C@H](N)[C@@H](O)C2)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H17Cl2N5O2/c16-9-2-1-8(5-10(9)17)22-15(7-3-11(18)12(23)4-7)20-14(21-22)6-13(19)24/h1-2,5,7,11-12,23H,3-4,6,18H2,(H2,19,24)/t7-,11-,12-/m0/s1
InChIKeyOCXFHKGMSIGORQ-QILRFPOHSA-N
XLogP1.17
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide 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

2-[5-[(1S,3S,4S)-4-amino-3-methoxycyclohexyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 155498067
methyl 2-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetate
CID 155500106
4-[3-(2-amino-2-oxoethyl)-5-(1-cyclopentylpiperidin-4-yl)-1,2,4-triazol-1-yl]benzoic acid
CID 131910909
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146039708
3-[1-(3-chloro-4-fluorophenyl)-5-[3-(dimethylamino)cyclobutyl]-1,2,4-triazol-3-yl]propan-1-ol
CID 167913427
2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
CID 74230318
2-[1-(3-chloro-4-fluorophenyl)-5-[2-(methanesulfonamido)ethyl]-1,2,4-triazol-3-yl]acetamide
CID 72911814
1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43652270
2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 154819491
1-(3,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carbonyl chloride;oxalyl dichloride
CID 87609850
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117129
2-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-(4-methyl-7-methylsulfanylquinolin-2-yl)-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride
CID 155940924

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide (CID 166615007) is 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc([C@H]2C[C@H](N)[C@@H](O)C2)n(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is OCXFHKGMSIGORQ-QILRFPOHSA-N. The full InChI is InChI=1S/C15H17Cl2N5O2/c16-9-2-1-8(5-10(9)17)22-15(7-3-11(18)12(23)4-7)20-14(21-22)6-13(19)24/h1-2,5,7,11-12,23H,3-4,6,18H2,(H2,19,24)/t7-,11-,12-/m0/s1.
What are the key properties of 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 370.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 166615007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).