2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine

C9H13N5S — CID 10376308

IUPAC2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(NC(C)C)n2cncc2n1
InChIInChI=1S/C9H13N5S/c1-6(2)11-8-13-9(15-3)12-7-4-10-5-14(7)8/h4-6H,1-3H3,(H,11,12,13)
InChIKeyGXPGVQOITDTLLQ-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.67
Rot. Bonds3

About 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine

2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 10376308) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine
PubChem CID10376308
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(NC(C)C)n2cncc2n1
InChIInChI=1S/C9H13N5S/c1-6(2)11-8-13-9(15-3)12-7-4-10-5-14(7)8/h4-6H,1-3H3,(H,11,12,13)
InChIKeyGXPGVQOITDTLLQ-UHFFFAOYSA-N
XLogP1.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine
CID 10464931
6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine
CID 110191378
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259
2-methylsulfanyl-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 12784085
5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 88769703
N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 141086107
7,13-dichloro-8-fluoro-11-methylsulfanyl-4,6,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
CID 166138861
4-chloro-2-methylimidazo[1,5-a]pyrimidine
CID 135052366
2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine
CID 54471860
4-methylsulfanyl-6-(4-nitroimidazol-1-yl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 110189200
4-N-[(2-bromo-1,3-thiazol-5-yl)methyl]-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 56654545
4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 32802034

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine (CID 10376308) is 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine is CSc1nc(NC(C)C)n2cncc2n1.
What is the InChIKey of 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is GXPGVQOITDTLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6(2)11-8-13-9(15-3)12-7-4-10-5-14(7)8/h4-6H,1-3H3,(H,11,12,13).
What are the key properties of 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine?
2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 223.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 10376308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).