8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine

C10H7ClN6 — CID 4158026

IUPAC8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine
SMILESCc1nc(-c2ccncc2)n2nnnc2c1Cl
InChIInChI=1S/C10H7ClN6/c1-6-8(11)10-14-15-16-17(10)9(13-6)7-2-4-12-5-3-7/h2-5H,1H3
InChIKeyASJYVYCOPYWHGS-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.54
Rot. Bonds1

About 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine

8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine (PubChem CID 4158026) has the molecular formula C10H7ClN6 and a molecular weight of 246.66 g/mol. Its IUPAC name is 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine
PubChem CID4158026
Molecular FormulaC10H7ClN6
Molecular Weight246.66 g/mol
Exact Mass246.04
IUPAC Name8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine
SMILESCc1nc(-c2ccncc2)n2nnnc2c1Cl
InChIInChI=1S/C10H7ClN6/c1-6-8(11)10-14-15-16-17(10)9(13-6)7-2-4-12-5-3-7/h2-5H,1H3
InChIKeyASJYVYCOPYWHGS-UHFFFAOYSA-N
XLogP1.54
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine?
The IUPAC name of 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine (CID 4158026) is 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine is Cc1nc(-c2ccncc2)n2nnnc2c1Cl.
What is the InChIKey of 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine?
The InChIKey is ASJYVYCOPYWHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6/c1-6-8(11)10-14-15-16-17(10)9(13-6)7-2-4-12-5-3-7/h2-5H,1H3.
What are the key properties of 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine?
8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine has a molecular weight of 246.66 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methyl-5-pyridin-4-yltetrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 4158026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).