3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one

C8H10N6O — CID 165473375

IUPAC3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one
SMILESCn1nnnc1Cn1cccc(N)c1=O
InChIInChI=1S/C8H10N6O/c1-13-7(10-11-12-13)5-14-4-2-3-6(9)8(14)15/h2-4H,5,9H2,1H3
InChIKeyWTMXYAIPOYXFNP-UHFFFAOYSA-N
MW206.21 g/mol
LogP-1.00
Rot. Bonds2

About 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one

3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one (PubChem CID 165473375) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one
PubChem CID165473375
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one
SMILESCn1nnnc1Cn1cccc(N)c1=O
InChIInChI=1S/C8H10N6O/c1-13-7(10-11-12-13)5-14-4-2-3-6(9)8(14)15/h2-4H,5,9H2,1H3
InChIKeyWTMXYAIPOYXFNP-UHFFFAOYSA-N
XLogP-1.00
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one (CID 165473375) is 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one is Cn1nnnc1Cn1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one?
The InChIKey is WTMXYAIPOYXFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-13-7(10-11-12-13)5-14-4-2-3-6(9)8(14)15/h2-4H,5,9H2,1H3.
What are the key properties of 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one?
3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one has a molecular weight of 206.21 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one is sourced from PubChem (CID 165473375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).