3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C17H19N5O2S — CID 133478606

IUPAC3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(Nc1nccn2c(C3CC3)nnc12)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H19N5O2S/c1-11(12-5-7-14(8-6-12)25(2,23)24)19-15-17-21-20-16(13-3-4-13)22(17)10-9-18-15/h5-11,13H,3-4H2,1-2H3,(H,18,19)
InChIKeyHYJFSJAABBICQR-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.58
Rot. Bonds5

About 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 133478606) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID133478606
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(Nc1nccn2c(C3CC3)nnc12)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H19N5O2S/c1-11(12-5-7-14(8-6-12)25(2,23)24)19-15-17-21-20-16(13-3-4-13)22(17)10-9-18-15/h5-11,13H,3-4H2,1-2H3,(H,18,19)
InChIKeyHYJFSJAABBICQR-UHFFFAOYSA-N
XLogP2.58
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478223
3-cyclopropyl-N-(1-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133477972
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 134704423
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-nitropyridin-2-amine
CID 26437363
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol
CID 133477982
3-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 91651037
5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 72876342
3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133477979
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
N-[(1-methylimidazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 63001655
8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478394

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 133478606) is 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC(Nc1nccn2c(C3CC3)nnc12)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is HYJFSJAABBICQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11(12-5-7-14(8-6-12)25(2,23)24)19-15-17-21-20-16(13-3-4-13)22(17)10-9-18-15/h5-11,13H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 357.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 133478606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).