N-benzyl-2-(tetrazol-1-yl)acetamide

C10H11N5O — CID 2166167

IUPACN-benzyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1ccccc1
InChIInChI=1S/C10H11N5O/c16-10(7-15-8-12-13-14-15)11-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,16)
InChIKeyGRQSAUJGSGNVQK-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.01
Rot. Bonds4

About N-benzyl-2-(tetrazol-1-yl)acetamide

N-benzyl-2-(tetrazol-1-yl)acetamide (PubChem CID 2166167) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-benzyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(tetrazol-1-yl)acetamide
PubChem CID2166167
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-benzyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1ccccc1
InChIInChI=1S/C10H11N5O/c16-10(7-15-8-12-13-14-15)11-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,16)
InChIKeyGRQSAUJGSGNVQK-UHFFFAOYSA-N
XLogP-0.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide
CID 3299775
N-(3-Phenylpropyl)-1H-1,2,4-triazole-1-acetamide
CID 3731870
2-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylethyl)acetamide
CID 690247
N-benzyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749081
N-Benzyl-1H-1,2,4-triazole-3-carboxamide
CID 1072357
N-(4-chlorobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 2526628
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
N-(2-bromobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3263785
N-(1-naphthylmethyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3631677
N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11957302
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 24794018
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-3-(1H-tetrazol-1-yl)propanamide
CID 24819184

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(tetrazol-1-yl)acetamide (CID 2166167) is N-benzyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is GRQSAUJGSGNVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c16-10(7-15-8-12-13-14-15)11-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,16).
What are the key properties of N-benzyl-2-(tetrazol-1-yl)acetamide?
N-benzyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 217.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2166167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).