N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine

C11H16N4 — CID 43425582

IUPACN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)c1nnc2ccccn12
InChIInChI=1S/C11H16N4/c1-8(2)12-9(3)11-14-13-10-6-4-5-7-15(10)11/h4-9,12H,1-3H3
InChIKeyNJRJEGISIOZWMV-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.79
Rot. Bonds3

About N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine (PubChem CID 43425582) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
PubChem CID43425582
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)c1nnc2ccccn12
InChIInChI=1S/C11H16N4/c1-8(2)12-9(3)11-14-13-10-6-4-5-7-15(10)11/h4-9,12H,1-3H3
InChIKeyNJRJEGISIOZWMV-UHFFFAOYSA-N
XLogP1.79
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine (CID 43425582) is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine is CC(C)NC(C)c1nnc2ccccn12.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine?
The InChIKey is NJRJEGISIOZWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8(2)12-9(3)11-14-13-10-6-4-5-7-15(10)11/h4-9,12H,1-3H3.
What are the key properties of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine?
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine has a molecular weight of 204.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43425582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).