N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

C14H16N4O — CID 166214673

IUPACN-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCC2CC2)ccc1-n1cncn1
InChIInChI=1S/C14H16N4O/c1-10-6-12(14(19)16-7-11-2-3-11)4-5-13(10)18-9-15-8-17-18/h4-6,8-9,11H,2-3,7H2,1H3,(H,16,19)
InChIKeyDWNBOPGDTOQHHV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.72
Rot. Bonds4

About N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 166214673) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID166214673
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCC2CC2)ccc1-n1cncn1
InChIInChI=1S/C14H16N4O/c1-10-6-12(14(19)16-7-11-2-3-11)4-5-13(10)18-9-15-8-17-18/h4-6,8-9,11H,2-3,7H2,1H3,(H,16,19)
InChIKeyDWNBOPGDTOQHHV-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71991149
3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 136566196
3-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119221375
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119459662
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 111481565
N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119592179
3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 120601161
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998642
(2R)-4-methyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 119364166
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124594340
N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 99817191
(2R)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467866

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 166214673) is N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(C(=O)NCC2CC2)ccc1-n1cncn1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DWNBOPGDTOQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-6-12(14(19)16-7-11-2-3-11)4-5-13(10)18-9-15-8-17-18/h4-6,8-9,11H,2-3,7H2,1H3,(H,16,19).
What are the key properties of N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 166214673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).