2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C10H10N6S — CID 708772

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCn1ncnc1SCc1cn2cccnc2n1
InChIInChI=1S/C10H10N6S/c1-15-10(12-7-13-15)17-6-8-5-16-4-2-3-11-9(16)14-8/h2-5,7H,6H2,1H3
InChIKeyMJCSCGJNWJDNSP-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.15
Rot. Bonds3

About 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 708772) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID708772
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCn1ncnc1SCc1cn2cccnc2n1
InChIInChI=1S/C10H10N6S/c1-15-10(12-7-13-15)17-6-8-5-16-4-2-3-11-9(16)14-8/h2-5,7H,6H2,1H3
InChIKeyMJCSCGJNWJDNSP-UHFFFAOYSA-N
XLogP1.15
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 708772) is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cn1ncnc1SCc1cn2cccnc2n1.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is MJCSCGJNWJDNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-15-10(12-7-13-15)17-6-8-5-16-4-2-3-11-9(16)14-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 246.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 708772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).