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

C16H20N8O — CID 50980294

IUPACN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(-n2cnnn2)cc1)c1ncnn1C
InChIInChI=1S/C16H20N8O/c1-11(2)8-14(15-17-9-19-23(15)3)20-16(25)12-4-6-13(7-5-12)24-10-18-21-22-24/h4-7,9-11,14H,8H2,1-3H3,(H,20,25)
InChIKeyVBNQUTVLXRDSEM-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.31
Rot. Bonds6

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

N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 50980294) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
PubChem CID50980294
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(-n2cnnn2)cc1)c1ncnn1C
InChIInChI=1S/C16H20N8O/c1-11(2)8-14(15-17-9-19-23(15)3)20-16(25)12-4-6-13(7-5-12)24-10-18-21-22-24/h4-7,9-11,14H,8H2,1-3H3,(H,20,25)
InChIKeyVBNQUTVLXRDSEM-UHFFFAOYSA-N
XLogP1.31
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
4-(5-amino-3-pyridinyl)-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 126447050
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
CID 122568494
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 125438565
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
CID 122560144
3-chloro-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyridine-4-carboxamide
CID 125443382
4-(tetrazol-1-yl)benzohydrazide
CID 2114009

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide (CID 50980294) is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide is CC(C)CC(NC(=O)c1ccc(-n2cnnn2)cc1)c1ncnn1C.
What is the InChIKey of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is VBNQUTVLXRDSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-11(2)8-14(15-17-9-19-23(15)3)20-16(25)12-4-6-13(7-5-12)24-10-18-21-22-24/h4-7,9-11,14H,8H2,1-3H3,(H,20,25).
What are the key properties of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide?
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 340.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 50980294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).