N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine

C14H16N6S — CID 138000874

IUPACN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine
SMILESCCn1nc(C)c(CNc2cncc(-c3cccs3)n2)n1
InChIInChI=1S/C14H16N6S/c1-3-20-18-10(2)11(19-20)8-16-14-9-15-7-12(17-14)13-5-4-6-21-13/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyVGUGAMVYIDPFBA-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.74
Rot. Bonds5

About N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine

N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine (PubChem CID 138000874) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine
PubChem CID138000874
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine
SMILESCCn1nc(C)c(CNc2cncc(-c3cccs3)n2)n1
InChIInChI=1S/C14H16N6S/c1-3-20-18-10(2)11(19-20)8-16-14-9-15-7-12(17-14)13-5-4-6-21-13/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyVGUGAMVYIDPFBA-UHFFFAOYSA-N
XLogP2.74
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
N-cyclohexyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808862
4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887431
tert-Butyl-(2-thiophen-2-yl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 860274
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258155
N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 861018
2-Phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127035004
2-Phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127037440
N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine
CID 24997038
N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 6419790

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine?
The IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine (CID 138000874) is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine.
What is the SMILES notation for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine?
The canonical SMILES for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine is CCn1nc(C)c(CNc2cncc(-c3cccs3)n2)n1.
What is the InChIKey of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine?
The InChIKey is VGUGAMVYIDPFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-3-20-18-10(2)11(19-20)8-16-14-9-15-7-12(17-14)13-5-4-6-21-13/h4-7,9H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine?
N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine has a molecular weight of 300.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-6-thiophen-2-ylpyrazin-2-amine is sourced from PubChem (CID 138000874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).