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

C17H15N9O — CID 47036805

IUPAC3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2cccnc2-n2cncn2)ccc1-n1cnnn1
InChIInChI=1S/C17H15N9O/c1-12-7-13(4-5-15(12)25-11-21-23-24-25)17(27)20-8-14-3-2-6-19-16(14)26-10-18-9-22-26/h2-7,9-11H,8H2,1H3,(H,20,27)
InChIKeyAKMFRWOHCNEAFH-UHFFFAOYSA-N
MW361.37 g/mol
LogP0.88
Rot. Bonds5

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

3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 47036805) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID47036805
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2cccnc2-n2cncn2)ccc1-n1cnnn1
InChIInChI=1S/C17H15N9O/c1-12-7-13(4-5-15(12)25-11-21-23-24-25)17(27)20-8-14-3-2-6-19-16(14)26-10-18-9-22-26/h2-7,9-11H,8H2,1H3,(H,20,27)
InChIKeyAKMFRWOHCNEAFH-UHFFFAOYSA-N
XLogP0.88
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 155951667
3-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 47036861
4-methoxy-3-nitro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721166
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55720371
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
CID 47036764
ethyl 1-[4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 55720294
N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide
CID 51099931
7-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 47036833
methyl 3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]benzoate
CID 47040063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide (CID 47036805) is 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide is Cc1cc(C(=O)NCc2cccnc2-n2cncn2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is AKMFRWOHCNEAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9O/c1-12-7-13(4-5-15(12)25-11-21-23-24-25)17(27)20-8-14-3-2-6-19-16(14)26-10-18-9-22-26/h2-7,9-11H,8H2,1H3,(H,20,27).
What are the key properties of 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 361.37 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 47036805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).