3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline

C12H12N4S — CID 7272714

IUPAC3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCCCSc1nnc2c3ccccc3ncn12
InChIInChI=1S/C12H12N4S/c1-2-7-17-12-15-14-11-9-5-3-4-6-10(9)13-8-16(11)12/h3-6,8H,2,7H2,1H3
InChIKeyICQXBIVUWJTKPN-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.78
Rot. Bonds3

About 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline

3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 7272714) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID7272714
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCCCSc1nnc2c3ccccc3ncn12
InChIInChI=1S/C12H12N4S/c1-2-7-17-12-15-14-11-9-5-3-4-6-10(9)13-8-16(11)12/h3-6,8H,2,7H2,1H3
InChIKeyICQXBIVUWJTKPN-UHFFFAOYSA-N
XLogP2.78
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid
CID 2476033
3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 39755643
8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine
CID 67757518
3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 56855001
N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine
CID 142687217
2-[(4-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 16669326
2-[(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine
CID 2145089
[4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 79235646
3-propylquinazolin-4-one
CID 529124
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695
3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole
CID 126108779
ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate
CID 11358368

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline (CID 7272714) is 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline is CCCSc1nnc2c3ccccc3ncn12.
What is the InChIKey of 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is ICQXBIVUWJTKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-2-7-17-12-15-14-11-9-5-3-4-6-10(9)13-8-16(11)12/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline?
3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 244.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 7272714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).