4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride

C14H20ClN5O — CID 120560585

IUPAC4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cccc(-c2nncn2C)c1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-10(15)6-7-13(20)17-12-5-3-4-11(8-12)14-18-16-9-19(14)2;/h3-5,8-10H,6-7,15H2,1-2H3,(H,17,20);1H
InChIKeyORYBOPZJRPAPFS-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.97
Rot. Bonds5

About 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride

4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride (PubChem CID 120560585) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
PubChem CID120560585
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cccc(-c2nncn2C)c1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-10(15)6-7-13(20)17-12-5-3-4-11(8-12)14-18-16-9-19(14)2;/h3-5,8-10H,6-7,15H2,1-2H3,(H,17,20);1H
InChIKeyORYBOPZJRPAPFS-UHFFFAOYSA-N
XLogP1.97
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 79204969
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80542568
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 39263320
3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 55653308
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39032770

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride (CID 120560585) is 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1cccc(-c2nncn2C)c1.Cl.
What is the InChIKey of 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is ORYBOPZJRPAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-10(15)6-7-13(20)17-12-5-3-4-11(8-12)14-18-16-9-19(14)2;/h3-5,8-10H,6-7,15H2,1-2H3,(H,17,20);1H.
What are the key properties of 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride?
4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).