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

C15H27N5 — CID 81320825

IUPAC[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine
SMILESCC1CC(C)(C)CCC1(CN)N1CCn2cnnc2C1
InChIInChI=1S/C15H27N5/c1-12-8-14(2,3)4-5-15(12,10-16)20-7-6-19-11-17-18-13(19)9-20/h11-12H,4-10,16H2,1-3H3
InChIKeyHELZSNITRBNKMR-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.64
Rot. Bonds2

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

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine (PubChem CID 81320825) 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)-2,4,4-trimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine
PubChem CID81320825
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)-2,4,4-trimethylcyclohexyl]methanamine
SMILESCC1CC(C)(C)CCC1(CN)N1CCn2cnnc2C1
InChIInChI=1S/C15H27N5/c1-12-8-14(2,3)4-5-15(12,10-16)20-7-6-19-11-17-18-13(19)9-20/h11-12H,4-10,16H2,1-3H3
InChIKeyHELZSNITRBNKMR-UHFFFAOYSA-N
XLogP1.64
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.64
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)-2,4,4-trimethylcyclohexyl]methanamine?
The IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine (CID 81320825) is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine is CC1CC(C)(C)CCC1(CN)N1CCn2cnnc2C1.
What is the InChIKey of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The InChIKey is HELZSNITRBNKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12-8-14(2,3)4-5-15(12,10-16)20-7-6-19-11-17-18-13(19)9-20/h11-12H,4-10,16H2,1-3H3.
What are the key properties of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine?
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine has a molecular weight of 277.42 g/mol, XLogP of 1.64, 2 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)-2,4,4-trimethylcyclohexyl]methanamine is sourced from PubChem (CID 81320825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).