7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C12H20N4 — CID 53193669

IUPAC7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nnc2n1CCN(CC1CCCCC1)C2
InChIInChI=1S/C12H20N4/c1-2-4-11(5-3-1)8-15-6-7-16-10-13-14-12(16)9-15/h10-11H,1-9H2
InChIKeyJZWIUXXQGBKUBG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds2

About 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53193669) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53193669
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nnc2n1CCN(CC1CCCCC1)C2
InChIInChI=1S/C12H20N4/c1-2-4-11(5-3-1)8-15-6-7-16-10-13-14-12(16)9-15/h10-11H,1-9H2
InChIKeyJZWIUXXQGBKUBG-UHFFFAOYSA-N
XLogP1.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Cyclohexylmethyl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 53609801
1-cyclohexyl-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192541
N-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-5-yl]methyl}-N-methylpropan-2-amine
CID 72866390
N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 86803544
3-(Cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136580115
cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine
CID 64577029
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755509
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64758220
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine
CID 126805519
1-[2-(3-methyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(trifluoromethyl)piperidine
CID 132418015
1-[(4,4-Difluorocyclohexyl)methyl]-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 137996225
4-(fluoromethyl)-1-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 172880676

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 53193669) is 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1nnc2n1CCN(CC1CCCCC1)C2.
What is the InChIKey of 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JZWIUXXQGBKUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-4-11(5-3-1)8-15-6-7-16-10-13-14-12(16)9-15/h10-11H,1-9H2.
What are the key properties of 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 220.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53193669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).