[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

C13H15N7S — CID 63314468

IUPAC[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(SCc2cn3cccnc3n2)n1C1CC1
InChIInChI=1S/C13H15N7S/c14-6-11-17-18-13(20(11)10-2-3-10)21-8-9-7-19-5-1-4-15-12(19)16-9/h1,4-5,7,10H,2-3,6,8,14H2
InChIKeyCPCUSYJKMHCFRD-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.41
Rot. Bonds5

About [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 63314468) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID63314468
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(SCc2cn3cccnc3n2)n1C1CC1
InChIInChI=1S/C13H15N7S/c14-6-11-17-18-13(20(11)10-2-3-10)21-8-9-7-19-5-1-4-15-12(19)16-9/h1,4-5,7,10H,2-3,6,8,14H2
InChIKeyCPCUSYJKMHCFRD-UHFFFAOYSA-N
XLogP1.41
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
4-Prop-2-enylsulfanyl-6-propylimidazo[1,5-d][1,2,4]triazine
CID 13548780
6-Methyl-4-prop-2-enylsulfanylimidazo[1,5-d][1,2,4]triazine
CID 13548788
2-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 24578585
2-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 72146930
2-(Imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 99824952
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
2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrobromide
CID 18774535

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (CID 63314468) is [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is NCc1nnc(SCc2cn3cccnc3n2)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is CPCUSYJKMHCFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c14-6-11-17-18-13(20(11)10-2-3-10)21-8-9-7-19-5-1-4-15-12(19)16-9/h1,4-5,7,10H,2-3,6,8,14H2.
What are the key properties of [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 301.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63314468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).