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

C10H11BrN6S — CID 18774535

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide
SMILESBr.Cn1cnnc1SCc1cn2cccnc2n1
InChIInChI=1S/C10H10N6S.BrH/c1-15-7-12-14-10(15)17-6-8-5-16-4-2-3-11-9(16)13-8;/h2-5,7H,6H2,1H3;1H
InChIKeyYYDWWCDFCWMSPD-UHFFFAOYSA-N
MW327.21 g/mol
LogP1.73
Rot. Bonds3

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide (PubChem CID 18774535) has the molecular formula C10H11BrN6S and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide
PubChem CID18774535
Molecular FormulaC10H11BrN6S
Molecular Weight327.21 g/mol
Exact Mass325.99
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide
SMILESBr.Cn1cnnc1SCc1cn2cccnc2n1
InChIInChI=1S/C10H10N6S.BrH/c1-15-7-12-14-10(15)17-6-8-5-16-4-2-3-11-9(16)13-8;/h2-5,7H,6H2,1H3;1H
InChIKeyYYDWWCDFCWMSPD-UHFFFAOYSA-N
XLogP1.73
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide (CID 18774535) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide is Br.Cn1cnnc1SCc1cn2cccnc2n1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide?
The InChIKey is YYDWWCDFCWMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S.BrH/c1-15-7-12-14-10(15)17-6-8-5-16-4-2-3-11-9(16)13-8;/h2-5,7H,6H2,1H3;1H.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide has a molecular weight of 327.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide is sourced from PubChem (CID 18774535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).