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

C11H12N4 — CID 60720945

IUPACN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNC(C)c1nnc2ccccn12
InChIInChI=1S/C11H12N4/c1-3-7-12-9(2)11-14-13-10-6-4-5-8-15(10)11/h1,4-6,8-9,12H,7H2,2H3
InChIKeySCIGBLQPHYRCEA-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.01
Rot. Bonds3

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

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine (PubChem CID 60720945) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
PubChem CID60720945
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNC(C)c1nnc2ccccn12
InChIInChI=1S/C11H12N4/c1-3-7-12-9(2)11-14-13-10-6-4-5-8-15(10)11/h1,4-6,8-9,12H,7H2,2H3
InChIKeySCIGBLQPHYRCEA-UHFFFAOYSA-N
XLogP1.01
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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]prop-2-yn-1-amine?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine (CID 60720945) is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine is C#CCNC(C)c1nnc2ccccn12.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is SCIGBLQPHYRCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-3-7-12-9(2)11-14-13-10-6-4-5-8-15(10)11/h1,4-6,8-9,12H,7H2,2H3.
What are the key properties of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine?
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 200.24 g/mol, XLogP of 1.01, 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]prop-2-yn-1-amine is sourced from PubChem (CID 60720945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).