N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide

C13H16N6O — CID 119614861

IUPACN-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
SMILESNCC(NC(=O)c1cccc(-n2cnnn2)c1)C1CC1
InChIInChI=1S/C13H16N6O/c14-7-12(9-4-5-9)16-13(20)10-2-1-3-11(6-10)19-8-15-17-18-19/h1-3,6,8-9,12H,4-5,7,14H2,(H,16,20)
InChIKeyOHVCGGSKVIPDCI-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.13
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide

N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 119614861) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
PubChem CID119614861
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
SMILESNCC(NC(=O)c1cccc(-n2cnnn2)c1)C1CC1
InChIInChI=1S/C13H16N6O/c14-7-12(9-4-5-9)16-13(20)10-2-1-3-11(6-10)19-8-15-17-18-19/h1-3,6,8-9,12H,4-5,7,14H2,(H,16,20)
InChIKeyOHVCGGSKVIPDCI-UHFFFAOYSA-N
XLogP0.13
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 18271808
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-(2-amino-1-cyclohexylethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119591477
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119617805
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide (CID 119614861) is N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide is NCC(NC(=O)c1cccc(-n2cnnn2)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is OHVCGGSKVIPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-7-12(9-4-5-9)16-13(20)10-2-1-3-11(6-10)19-8-15-17-18-19/h1-3,6,8-9,12H,4-5,7,14H2,(H,16,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide?
N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 272.31 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 119614861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).