6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline

C13H14N6S — CID 133426595

IUPAC6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
SMILESCc1ccc2ncnc(Sc3nnnn3C(C)C)c2c1
InChIInChI=1S/C13H14N6S/c1-8(2)19-13(16-17-18-19)20-12-10-6-9(3)4-5-11(10)14-7-15-12/h4-8H,1-3H3
InChIKeyRIFVTYDKRXIFQV-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.66
Rot. Bonds3

About 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline

6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline (PubChem CID 133426595) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline.

Molecular Properties

Compound Name6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
PubChem CID133426595
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
SMILESCc1ccc2ncnc(Sc3nnnn3C(C)C)c2c1
InChIInChI=1S/C13H14N6S/c1-8(2)19-13(16-17-18-19)20-12-10-6-9(3)4-5-11(10)14-7-15-12/h4-8H,1-3H3
InChIKeyRIFVTYDKRXIFQV-UHFFFAOYSA-N
XLogP2.66
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The IUPAC name of 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline (CID 133426595) is 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline.
What is the SMILES notation for 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The canonical SMILES for 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline is Cc1ccc2ncnc(Sc3nnnn3C(C)C)c2c1.
What is the InChIKey of 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The InChIKey is RIFVTYDKRXIFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-8(2)19-13(16-17-18-19)20-12-10-6-9(3)4-5-11(10)14-7-15-12/h4-8H,1-3H3.
What are the key properties of 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline has a molecular weight of 286.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline is sourced from PubChem (CID 133426595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).