2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine

C11H8N6S — CID 117062256

IUPAC2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine
SMILESc1ccc(-n2nnnc2Sc2ncccn2)cc1
InChIInChI=1S/C11H8N6S/c1-2-5-9(6-3-1)17-11(14-15-16-17)18-10-12-7-4-8-13-10/h1-8H
InChIKeyPNBHDEICYMELNU-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.60
Rot. Bonds3

About 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine

2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine (PubChem CID 117062256) has the molecular formula C11H8N6S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine
PubChem CID117062256
Molecular FormulaC11H8N6S
Molecular Weight256.29 g/mol
Exact Mass256.05
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine
SMILESc1ccc(-n2nnnc2Sc2ncccn2)cc1
InChIInChI=1S/C11H8N6S/c1-2-5-9(6-3-1)17-11(14-15-16-17)18-10-12-7-4-8-13-10/h1-8H
InChIKeyPNBHDEICYMELNU-UHFFFAOYSA-N
XLogP1.60
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine (CID 117062256) is 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine is c1ccc(-n2nnnc2Sc2ncccn2)cc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine?
The InChIKey is PNBHDEICYMELNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6S/c1-2-5-9(6-3-1)17-11(14-15-16-17)18-10-12-7-4-8-13-10/h1-8H.
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine?
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine has a molecular weight of 256.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine is sourced from PubChem (CID 117062256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).