8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline

C14H10N6S — CID 75429679

IUPAC8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
SMILESCc1cccc2c(Sc3nc4ncccn4n3)ncnc12
InChIInChI=1S/C14H10N6S/c1-9-4-2-5-10-11(9)16-8-17-12(10)21-14-18-13-15-6-3-7-20(13)19-14/h2-8H,1H3
InChIKeyMFURZYGLXRMWFH-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.53
Rot. Bonds2

About 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline

8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline (PubChem CID 75429679) has the molecular formula C14H10N6S and a molecular weight of 294.34 g/mol. Its IUPAC name is 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline.

Molecular Properties

Compound Name8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
PubChem CID75429679
Molecular FormulaC14H10N6S
Molecular Weight294.34 g/mol
Exact Mass294.07
IUPAC Name8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
SMILESCc1cccc2c(Sc3nc4ncccn4n3)ncnc12
InChIInChI=1S/C14H10N6S/c1-9-4-2-5-10-11(9)16-8-17-12(10)21-14-18-13-15-6-3-7-20(13)19-14/h2-8H,1H3
InChIKeyMFURZYGLXRMWFH-UHFFFAOYSA-N
XLogP2.53
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
CID 24626644
2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56793772
(2S)-1-(2-methyl-1H-indol-3-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351952
2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16618002
2-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 134010697
2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 51111566
2-(3-phenylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 52544189
2-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 37198095
(2R)-1-(4-tert-butylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351728
ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 90849643
8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline
CID 133455600
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 17462742

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline?
The IUPAC name of 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline (CID 75429679) is 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline.
What is the SMILES notation for 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline?
The canonical SMILES for 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline is Cc1cccc2c(Sc3nc4ncccn4n3)ncnc12.
What is the InChIKey of 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline?
The InChIKey is MFURZYGLXRMWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S/c1-9-4-2-5-10-11(9)16-8-17-12(10)21-14-18-13-15-6-3-7-20(13)19-14/h2-8H,1H3.
What are the key properties of 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline?
8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline has a molecular weight of 294.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline is sourced from PubChem (CID 75429679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).