2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide

C6H11N5O — CID 21058209

IUPAC2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c1-4(2)6(12)7-3-5-8-10-11-9-5/h4H,3H2,1-2H3,(H,7,12)(H,8,9,10,11)
InChIKeyWKUANMRNGGXVMM-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.53
Rot. Bonds3

About 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide

2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide (PubChem CID 21058209) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide
PubChem CID21058209
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c1-4(2)6(12)7-3-5-8-10-11-9-5/h4H,3H2,1-2H3,(H,7,12)(H,8,9,10,11)
InChIKeyWKUANMRNGGXVMM-UHFFFAOYSA-N
XLogP-0.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide (CID 21058209) is 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide is CC(C)C(=O)NCc1nn[nH]n1.
What is the InChIKey of 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The InChIKey is WKUANMRNGGXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(2)6(12)7-3-5-8-10-11-9-5/h4H,3H2,1-2H3,(H,7,12)(H,8,9,10,11).
What are the key properties of 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide has a molecular weight of 169.19 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 21058209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).