2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide

C11H14N6O — CID 119778407

IUPAC2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
SMILESCNCC(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H14N6O/c1-12-7-10(18)13-6-8-2-4-9(5-3-8)11-14-16-17-15-11/h2-5,12H,6-7H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyLQZTWUBWMQYFIN-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.30
Rot. Bonds5

About 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide

2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (PubChem CID 119778407) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
PubChem CID119778407
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
SMILESCNCC(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H14N6O/c1-12-7-10(18)13-6-8-2-4-9(5-3-8)11-14-16-17-15-11/h2-5,12H,6-7H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyLQZTWUBWMQYFIN-UHFFFAOYSA-N
XLogP-0.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 99631991
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide
CID 167788668
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 75423019
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
2-imidazo[1,2-a]pyridin-2-yl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 166200970
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676
(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 95773877

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (CID 119778407) is 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is CNCC(=O)NCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The InChIKey is LQZTWUBWMQYFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-12-7-10(18)13-6-8-2-4-9(5-3-8)11-14-16-17-15-11/h2-5,12H,6-7H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 246.27 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 119778407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).