N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide

C17H25N5O — CID 119660814

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1Cn1cncn1
InChIInChI=1S/C17H25N5O/c1-13(2)16(18)8-9-21(3)17(23)15-7-5-4-6-14(15)10-22-12-19-11-20-22/h4-7,11-13,16H,8-10,18H2,1-3H3
InChIKeyWGWOZDWRTYNDOH-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.77
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 119660814) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID119660814
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1Cn1cncn1
InChIInChI=1S/C17H25N5O/c1-13(2)16(18)8-9-21(3)17(23)15-7-5-4-6-14(15)10-22-12-19-11-20-22/h4-7,11-13,16H,8-10,18H2,1-3H3
InChIKeyWGWOZDWRTYNDOH-UHFFFAOYSA-N
XLogP1.77
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119359245
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119657366
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 119657829
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
[4-(1-aminoethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone;hydrochloride
CID 119520428
N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659628
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 111477965

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 119660814) is N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide is CC(C)C(N)CCN(C)C(=O)c1ccccc1Cn1cncn1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is WGWOZDWRTYNDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)16(18)8-9-21(3)17(23)15-7-5-4-6-14(15)10-22-12-19-11-20-22/h4-7,11-13,16H,8-10,18H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 119660814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).