[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine

C15H27N5 — CID 64575522

IUPAC[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CCn3cnnc3C2)CC1
InChIInChI=1S/C15H27N5/c1-2-3-13-4-6-15(11-16,7-5-13)20-9-8-19-12-17-18-14(19)10-20/h12-13H,2-11,16H2,1H3
InChIKeyQIJZUCPSZAVOLL-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.78
Rot. Bonds4

About [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine (PubChem CID 64575522) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine
PubChem CID64575522
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CCn3cnnc3C2)CC1
InChIInChI=1S/C15H27N5/c1-2-3-13-4-6-15(11-16,7-5-13)20-9-8-19-12-17-18-14(19)10-20/h12-13H,2-11,16H2,1H3
InChIKeyQIJZUCPSZAVOLL-UHFFFAOYSA-N
XLogP1.78
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine (CID 64575522) is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(N2CCn3cnnc3C2)CC1.
What is the InChIKey of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is QIJZUCPSZAVOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-2-3-13-4-6-15(11-16,7-5-13)20-9-8-19-12-17-18-14(19)10-20/h12-13H,2-11,16H2,1H3.
What are the key properties of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine?
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 277.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 64575522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).