7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline

C12H11ClN6S — CID 24508564

IUPAC7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
SMILESCC(C)n1nnnc1Sc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C12H11ClN6S/c1-7(2)19-12(16-17-18-19)20-11-9-4-3-8(13)5-10(9)14-6-15-11/h3-7H,1-2H3
InChIKeyBEXSBUYYGPSQTO-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.00
Rot. Bonds3

About 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline

7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline (PubChem CID 24508564) has the molecular formula C12H11ClN6S and a molecular weight of 306.78 g/mol. Its IUPAC name is 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline.

Molecular Properties

Compound Name7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
PubChem CID24508564
Molecular FormulaC12H11ClN6S
Molecular Weight306.78 g/mol
Exact Mass306.05
IUPAC Name7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
SMILESCC(C)n1nnnc1Sc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C12H11ClN6S/c1-7(2)19-12(16-17-18-19)20-11-9-4-3-8(13)5-10(9)14-6-15-11/h3-7H,1-2H3
InChIKeyBEXSBUYYGPSQTO-UHFFFAOYSA-N
XLogP3.00
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The IUPAC name of 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline (CID 24508564) is 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline.
What is the SMILES notation for 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The canonical SMILES for 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline is CC(C)n1nnnc1Sc1ncnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The InChIKey is BEXSBUYYGPSQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6S/c1-7(2)19-12(16-17-18-19)20-11-9-4-3-8(13)5-10(9)14-6-15-11/h3-7H,1-2H3.
What are the key properties of 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline has a molecular weight of 306.78 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline is sourced from PubChem (CID 24508564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).