2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine

C11H18N6 — CID 80704149

IUPAC2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1nccn2cnnc12
InChIInChI=1S/C11H18N6/c1-2-3-4-9(7-12)15-10-11-16-14-8-17(11)6-5-13-10/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,15)
InChIKeyZKFCAMHHUHYTSV-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.05
Rot. Bonds6

About 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine

2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine (PubChem CID 80704149) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine
PubChem CID80704149
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1nccn2cnnc12
InChIInChI=1S/C11H18N6/c1-2-3-4-9(7-12)15-10-11-16-14-8-17(11)6-5-13-10/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,15)
InChIKeyZKFCAMHHUHYTSV-UHFFFAOYSA-N
XLogP1.05
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83186917
N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115663445
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
CID 65192630
3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103729169
3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
CID 113245597
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
CID 103858577
N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65030166
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
CID 81077970
8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 125496106
2-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,2-diamine
CID 104732620
2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
CID 80539535
2-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,2-diamine
CID 104732624

Frequently Asked Questions

What is the IUPAC name of 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine?
The IUPAC name of 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine (CID 80704149) is 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine is CCCCC(CN)Nc1nccn2cnnc12.
What is the InChIKey of 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine?
The InChIKey is ZKFCAMHHUHYTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-2-3-4-9(7-12)15-10-11-16-14-8-17(11)6-5-13-10/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,15).
What are the key properties of 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine?
2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine has a molecular weight of 234.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine is sourced from PubChem (CID 80704149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).