N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide

C16H19N7O — CID 70736177

IUPACN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)n1cnnc1CN(C)C(=O)c1ccccc1-n1cncn1
InChIInChI=1S/C16H19N7O/c1-12(2)22-11-18-20-15(22)8-21(3)16(24)13-6-4-5-7-14(13)23-10-17-9-19-23/h4-7,9-12H,8H2,1-3H3
InChIKeyUWLHPYZSDRWWGX-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.71
Rot. Bonds5

About N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide

N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 70736177) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID70736177
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)n1cnnc1CN(C)C(=O)c1ccccc1-n1cncn1
InChIInChI=1S/C16H19N7O/c1-12(2)22-11-18-20-15(22)8-21(3)16(24)13-6-4-5-7-14(13)23-10-17-9-19-23/h4-7,9-12H,8H2,1-3H3
InChIKeyUWLHPYZSDRWWGX-UHFFFAOYSA-N
XLogP1.71
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide (CID 70736177) is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide is CC(C)n1cnnc1CN(C)C(=O)c1ccccc1-n1cncn1.
What is the InChIKey of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is UWLHPYZSDRWWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-12(2)22-11-18-20-15(22)8-21(3)16(24)13-6-4-5-7-14(13)23-10-17-9-19-23/h4-7,9-12H,8H2,1-3H3.
What are the key properties of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide?
N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 325.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 70736177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).