6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine

C11H17N5 — CID 43479092

IUPAC6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine
SMILESNCCCCCCc1nnc2cnccn12
InChIInChI=1S/C11H17N5/c12-6-4-2-1-3-5-10-14-15-11-9-13-7-8-16(10)11/h7-9H,1-6,12H2
InChIKeyCGFIEECKCYXHBY-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.19
Rot. Bonds6

About 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine

6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine (PubChem CID 43479092) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine.

Molecular Properties

Compound Name6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine
PubChem CID43479092
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine
SMILESNCCCCCCc1nnc2cnccn12
InChIInChI=1S/C11H17N5/c12-6-4-2-1-3-5-10-14-15-11-9-13-7-8-16(10)11/h7-9H,1-6,12H2
InChIKeyCGFIEECKCYXHBY-UHFFFAOYSA-N
XLogP1.19
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine?
The IUPAC name of 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine (CID 43479092) is 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine.
What is the SMILES notation for 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine?
The canonical SMILES for 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine is NCCCCCCc1nnc2cnccn12.
What is the InChIKey of 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine?
The InChIKey is CGFIEECKCYXHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c12-6-4-2-1-3-5-10-14-15-11-9-13-7-8-16(10)11/h7-9H,1-6,12H2.
What are the key properties of 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine?
6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine is sourced from PubChem (CID 43479092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).