2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one

C15H16N6OS — CID 135819585

IUPAC2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSc2nnnn2C2CCCC2)nc2ccccc12
InChIInChI=1S/C15H16N6OS/c22-14-11-7-3-4-8-12(11)16-13(17-14)9-23-15-18-19-20-21(15)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17,22)
InChIKeyPBMANNHGWINEJY-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.32
Rot. Bonds4

About 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one

2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one (PubChem CID 135819585) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one
PubChem CID135819585
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSc2nnnn2C2CCCC2)nc2ccccc12
InChIInChI=1S/C15H16N6OS/c22-14-11-7-3-4-8-12(11)16-13(17-14)9-23-15-18-19-20-21(15)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17,22)
InChIKeyPBMANNHGWINEJY-UHFFFAOYSA-N
XLogP2.32
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one (CID 135819585) is 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one is O=c1[nH]c(CSc2nnnn2C2CCCC2)nc2ccccc12.
What is the InChIKey of 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one?
The InChIKey is PBMANNHGWINEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c22-14-11-7-3-4-8-12(11)16-13(17-14)9-23-15-18-19-20-21(15)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17,22).
What are the key properties of 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one?
2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one has a molecular weight of 328.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135819585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).