2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide

C7H12N6O — CID 131086433

IUPAC2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2nn[nH]n2)CCCN1
InChIInChI=1S/C7H12N6O/c1-7(3-2-4-8-7)5(14)9-6-10-12-13-11-6/h8H,2-4H2,1H3,(H2,9,10,11,12,13,14)
InChIKeyANGWWQJCOWEWKM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.72
Rot. Bonds2

About 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide

2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 131086433) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID131086433
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2nn[nH]n2)CCCN1
InChIInChI=1S/C7H12N6O/c1-7(3-2-4-8-7)5(14)9-6-10-12-13-11-6/h8H,2-4H2,1H3,(H2,9,10,11,12,13,14)
InChIKeyANGWWQJCOWEWKM-UHFFFAOYSA-N
XLogP-0.72
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide (CID 131086433) is 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide is CC1(C(=O)Nc2nn[nH]n2)CCCN1.
What is the InChIKey of 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is ANGWWQJCOWEWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c1-7(3-2-4-8-7)5(14)9-6-10-12-13-11-6/h8H,2-4H2,1H3,(H2,9,10,11,12,13,14).
What are the key properties of 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide?
2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2H-tetrazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 131086433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).