3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C14H23N5 — CID 103729169

IUPAC3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCCCC(CCC)Nc1nccn2c(C)nnc12
InChIInChI=1S/C14H23N5/c1-4-6-8-12(7-5-2)16-13-14-18-17-11(3)19(14)10-9-15-13/h9-10,12H,4-8H2,1-3H3,(H,15,16)
InChIKeySJCVRKAUNCHCLR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.20
Rot. Bonds7

About 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 103729169) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID103729169
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCCCC(CCC)Nc1nccn2c(C)nnc12
InChIInChI=1S/C14H23N5/c1-4-6-8-12(7-5-2)16-13-14-18-17-11(3)19(14)10-9-15-13/h9-10,12H,4-8H2,1-3H3,(H,15,16)
InChIKeySJCVRKAUNCHCLR-UHFFFAOYSA-N
XLogP3.20
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol
CID 106157669
N-(4-chlorobutan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83187746
3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404
N-(1-chloropropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65029623
N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115692073
5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
CID 107269269
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine
CID 80704149
3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113494041
3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048654
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 79099178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 103729169) is 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CCCCC(CCC)Nc1nccn2c(C)nnc12.
What is the InChIKey of 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is SJCVRKAUNCHCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-6-8-12(7-5-2)16-13-14-18-17-11(3)19(14)10-9-15-13/h9-10,12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 261.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 103729169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).