4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline

C10H7N5S — CID 164611705

IUPAC4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
SMILESc1ccc2c(Sc3ncn[nH]3)ncnc2c1
InChIInChI=1S/C10H7N5S/c1-2-4-8-7(3-1)9(12-5-11-8)16-10-13-6-14-15-10/h1-6H,(H,13,14,15)
InChIKeyCITXMJMDSSEKQS-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.90
Rot. Bonds2

About 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline

4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline (PubChem CID 164611705) has the molecular formula C10H7N5S and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
PubChem CID164611705
Molecular FormulaC10H7N5S
Molecular Weight229.27 g/mol
Exact Mass229.04
IUPAC Name4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
SMILESc1ccc2c(Sc3ncn[nH]3)ncnc2c1
InChIInChI=1S/C10H7N5S/c1-2-4-8-7(3-1)9(12-5-11-8)16-10-13-6-14-15-10/h1-6H,(H,13,14,15)
InChIKeyCITXMJMDSSEKQS-UHFFFAOYSA-N
XLogP1.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline?
The IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline (CID 164611705) is 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline is c1ccc2c(Sc3ncn[nH]3)ncnc2c1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline?
The InChIKey is CITXMJMDSSEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5S/c1-2-4-8-7(3-1)9(12-5-11-8)16-10-13-6-14-15-10/h1-6H,(H,13,14,15).
What are the key properties of 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline?
4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline has a molecular weight of 229.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline is sourced from PubChem (CID 164611705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).