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

C12H23N5 — CID 64575064

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine
SMILESCC(CCN)CCCN1CCn2cnnc2C1
InChIInChI=1S/C12H23N5/c1-11(4-5-13)3-2-6-16-7-8-17-10-14-15-12(17)9-16/h10-11H,2-9,13H2,1H3
InChIKeyIYYIXMLZFXMODR-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.86
Rot. Bonds6

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

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine (PubChem CID 64575064) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine
PubChem CID64575064
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine
SMILESCC(CCN)CCCN1CCn2cnnc2C1
InChIInChI=1S/C12H23N5/c1-11(4-5-13)3-2-6-16-7-8-17-10-14-15-12(17)9-16/h10-11H,2-9,13H2,1H3
InChIKeyIYYIXMLZFXMODR-UHFFFAOYSA-N
XLogP0.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine (CID 64575064) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine is CC(CCN)CCCN1CCn2cnnc2C1.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine?
The InChIKey is IYYIXMLZFXMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-11(4-5-13)3-2-6-16-7-8-17-10-14-15-12(17)9-16/h10-11H,2-9,13H2,1H3.
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine is sourced from PubChem (CID 64575064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).