2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine

C10H18N4 — CID 81057696

IUPAC2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
SMILESCCC(CN)c1nnc2n1CCCC2
InChIInChI=1S/C10H18N4/c1-2-8(7-11)10-13-12-9-5-3-4-6-14(9)10/h8H,2-7,11H2,1H3
InChIKeyIOGZTKUMZPLXKM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.07
Rot. Bonds3

About 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine (PubChem CID 81057696) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
PubChem CID81057696
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
SMILESCCC(CN)c1nnc2n1CCCC2
InChIInChI=1S/C10H18N4/c1-2-8(7-11)10-13-12-9-5-3-4-6-14(9)10/h8H,2-7,11H2,1H3
InChIKeyIOGZTKUMZPLXKM-UHFFFAOYSA-N
XLogP1.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine (CID 81057696) is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine is CCC(CN)c1nnc2n1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The InChIKey is IOGZTKUMZPLXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-8(7-11)10-13-12-9-5-3-4-6-14(9)10/h8H,2-7,11H2,1H3.
What are the key properties of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine is sourced from PubChem (CID 81057696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).