2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide

C7H10N6O — CID 81498861

IUPAC2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide
SMILESCn1nnc(NC(=O)C(C)(C)C#N)n1
InChIInChI=1S/C7H10N6O/c1-7(2,4-8)5(14)9-6-10-12-13(3)11-6/h1-3H3,(H,9,11,14)
InChIKeyIWJSATXCDSZKST-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.30
Rot. Bonds2

About 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide

2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide (PubChem CID 81498861) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide
PubChem CID81498861
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide
SMILESCn1nnc(NC(=O)C(C)(C)C#N)n1
InChIInChI=1S/C7H10N6O/c1-7(2,4-8)5(14)9-6-10-12-13(3)11-6/h1-3H3,(H,9,11,14)
InChIKeyIWJSATXCDSZKST-UHFFFAOYSA-N
XLogP-0.30
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide (CID 81498861) is 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide is Cn1nnc(NC(=O)C(C)(C)C#N)n1.
What is the InChIKey of 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide?
The InChIKey is IWJSATXCDSZKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-7(2,4-8)5(14)9-6-10-12-13(3)11-6/h1-3H3,(H,9,11,14).
What are the key properties of 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide?
2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide has a molecular weight of 194.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(2-methyltetrazol-5-yl)propanamide is sourced from PubChem (CID 81498861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).