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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Related Compounds

N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine
CID 80885003
2-quinazolin-4-ylsulfanylphenol
CID 62026320
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine
CID 43809899
3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one
CID 104788101
5-bromo-4-quinazolin-4-ylsulfanyl-1H-pyrimidin-6-one
CID 114791119
2-quinazolin-4-ylsulfanylpyrimidine-5-carbaldehyde
CID 113388624
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid
CID 62700957
(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951535

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).