2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride

C9H9ClN6S — CID 126477705

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride
SMILESCl.c1cnc2nc(CSc3ncn[nH]3)cn2c1
InChIInChI=1S/C9H8N6S.ClH/c1-2-10-8-13-7(4-15(8)3-1)5-16-9-11-6-12-14-9;/h1-4,6H,5H2,(H,11,12,14);1H
InChIKeyRCKADWBEGODCIH-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.56
Rot. Bonds3

About 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride

2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride (PubChem CID 126477705) has the molecular formula C9H9ClN6S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride
PubChem CID126477705
Molecular FormulaC9H9ClN6S
Molecular Weight268.73 g/mol
Exact Mass268.03
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride
SMILESCl.c1cnc2nc(CSc3ncn[nH]3)cn2c1
InChIInChI=1S/C9H8N6S.ClH/c1-2-10-8-13-7(4-15(8)3-1)5-16-9-11-6-12-14-9;/h1-4,6H,5H2,(H,11,12,14);1H
InChIKeyRCKADWBEGODCIH-UHFFFAOYSA-N
XLogP1.56
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]imidazo[1,2-a]pyrimidine
CID 700172
2-(((1-methyl-1H-1,2,4-triazol-5-yl)thio)methyl)imidazo[1,2-a]pyrimidine
CID 708772
2-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}imidazo[1,2-a]pyrimidine
CID 708775
5,7-dimethyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]imidazo[1,2-a]pyrimidine
CID 1523546
5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 121555507
2-(4-Hydroimidazo[1,2-a]pyrimidin-2-ylmethylthio)pyrimidine
CID 700168
2-(4-Hydroimidazo[1,2-a]pyrimidin-2-ylmethylthio)-1-methylimidazole
CID 4616266
Imidazo[1,2-a]pyrimidin-2-ylmethyl carbamimidothioate;dihydrochloride
CID 16241390
2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide
CID 18774535
2-Imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole
CID 70447530
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-N,N-dimethyl-1,2,4-triazole-1-carboxamide
CID 139974221
N,N-diethyl-3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide
CID 139974231

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride (CID 126477705) is 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride is Cl.c1cnc2nc(CSc3ncn[nH]3)cn2c1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride?
The InChIKey is RCKADWBEGODCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S.ClH/c1-2-10-8-13-7(4-15(8)3-1)5-16-9-11-6-12-14-9;/h1-4,6H,5H2,(H,11,12,14);1H.
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride?
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride has a molecular weight of 268.73 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrochloride is sourced from PubChem (CID 126477705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).