2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine

C13H23N5 — CID 64578856

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCn3cnnc3C2)C1
InChIInChI=1S/C13H23N5/c1-10-2-3-12(14)11(6-10)7-17-4-5-18-9-15-16-13(18)8-17/h9-12H,2-8,14H2,1H3
InChIKeyWIXBGFKDDDRDPV-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.86
Rot. Bonds2

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine (PubChem CID 64578856) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine
PubChem CID64578856
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCn3cnnc3C2)C1
InChIInChI=1S/C13H23N5/c1-10-2-3-12(14)11(6-10)7-17-4-5-18-9-15-16-13(18)8-17/h9-12H,2-8,14H2,1H3
InChIKeyWIXBGFKDDDRDPV-UHFFFAOYSA-N
XLogP0.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol
CID 64580024
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine
CID 63026159
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol
CID 79855825
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcyclopentan-1-amine
CID 64578664
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine
CID 64580410
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine
CID 64577881
7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64576294
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine
CID 64579470
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79843318
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine
CID 103060355
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclohexan-1-amine
CID 64575348
4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62614291

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine (CID 64578856) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(CN2CCn3cnnc3C2)C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine?
The InChIKey is WIXBGFKDDDRDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-2-3-12(14)11(6-10)7-17-4-5-18-9-15-16-13(18)8-17/h9-12H,2-8,14H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64578856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).