4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride

C17H26ClN5O — CID 120559402

IUPAC4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1.Cl
InChIInChI=1S/C17H25N5O.ClH/c1-11(18)5-10-14(23)19-16-20-15(21-22-16)12-6-8-13(9-7-12)17(2,3)4;/h6-9,11H,5,10,18H2,1-4H3,(H2,19,20,21,22,23);1H
InChIKeyFEWSXNPOZUPEBG-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.26
Rot. Bonds5

About 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride

4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride (PubChem CID 120559402) has the molecular formula C17H26ClN5O and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride
PubChem CID120559402
Molecular FormulaC17H26ClN5O
Molecular Weight351.88 g/mol
Exact Mass351.18
IUPAC Name4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1.Cl
InChIInChI=1S/C17H25N5O.ClH/c1-11(18)5-10-14(23)19-16-20-15(21-22-16)12-6-8-13(9-7-12)17(2,3)4;/h6-9,11H,5,10,18H2,1-4H3,(H2,19,20,21,22,23);1H
InChIKeyFEWSXNPOZUPEBG-UHFFFAOYSA-N
XLogP3.26
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride (CID 120559402) is 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1.Cl.
What is the InChIKey of 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride?
The InChIKey is FEWSXNPOZUPEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.ClH/c1-11(18)5-10-14(23)19-16-20-15(21-22-16)12-6-8-13(9-7-12)17(2,3)4;/h6-9,11H,5,10,18H2,1-4H3,(H2,19,20,21,22,23);1H.
What are the key properties of 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride?
4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride is sourced from PubChem (CID 120559402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).