[4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine

C9H8N6S — CID 79817159

IUPAC[4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nnc3ccncn23)cs1
InChIInChI=1S/C9H8N6S/c10-3-8-12-6(4-16-8)9-14-13-7-1-2-11-5-15(7)9/h1-2,4-5H,3,10H2
InChIKeyAGVGZLSFGBVQOZ-UHFFFAOYSA-N
MW232.27 g/mol
LogP0.71
Rot. Bonds2

About [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine

[4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 79817159) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID79817159
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name[4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nnc3ccncn23)cs1
InChIInChI=1S/C9H8N6S/c10-3-8-12-6(4-16-8)9-14-13-7-1-2-11-5-15(7)9/h1-2,4-5H,3,10H2
InChIKeyAGVGZLSFGBVQOZ-UHFFFAOYSA-N
XLogP0.71
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66379318
[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82281663
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
[4-(1,7-dimethylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 81456378
2,4-difluoro-5-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79816625
2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79817674
3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134334464
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine
CID 62787937
[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380528
[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 171380508
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380869

Frequently Asked Questions

What is the IUPAC name of [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine (CID 79817159) is [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2nnc3ccncn23)cs1.
What is the InChIKey of [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is AGVGZLSFGBVQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c10-3-8-12-6(4-16-8)9-14-13-7-1-2-11-5-15(7)9/h1-2,4-5H,3,10H2.
What are the key properties of [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine?
[4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 232.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 79817159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).