(5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate

C9H9ClN6O3 — CID 90010261

IUPAC(5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate
SMILESCn1nnnc1NC(=O)Oc1ccc(Cl)c(=O)n1C
InChIInChI=1S/C9H9ClN6O3/c1-15-6(4-3-5(10)7(15)17)19-9(18)11-8-12-13-14-16(8)2/h3-4H,1-2H3,(H,11,12,14,18)
InChIKeyOWMMWFPUOJZNLX-UHFFFAOYSA-N
MW284.66 g/mol
LogP0.17
Rot. Bonds2

About (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate

(5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate (PubChem CID 90010261) has the molecular formula C9H9ClN6O3 and a molecular weight of 284.66 g/mol. Its IUPAC name is (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate.

Molecular Properties

Compound Name(5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate
PubChem CID90010261
Molecular FormulaC9H9ClN6O3
Molecular Weight284.66 g/mol
Exact Mass284.04
IUPAC Name(5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate
SMILESCn1nnnc1NC(=O)Oc1ccc(Cl)c(=O)n1C
InChIInChI=1S/C9H9ClN6O3/c1-15-6(4-3-5(10)7(15)17)19-9(18)11-8-12-13-14-16(8)2/h3-4H,1-2H3,(H,11,12,14,18)
InChIKeyOWMMWFPUOJZNLX-UHFFFAOYSA-N
XLogP0.17
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate?
The IUPAC name of (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate (CID 90010261) is (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate.
What is the SMILES notation for (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate?
The canonical SMILES for (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate is Cn1nnnc1NC(=O)Oc1ccc(Cl)c(=O)n1C.
What is the InChIKey of (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate?
The InChIKey is OWMMWFPUOJZNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O3/c1-15-6(4-3-5(10)7(15)17)19-9(18)11-8-12-13-14-16(8)2/h3-4H,1-2H3,(H,11,12,14,18).
What are the key properties of (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate?
(5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate has a molecular weight of 284.66 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate is sourced from PubChem (CID 90010261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).