5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide

C13H11ClN6O — CID 103803871

IUPAC5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cnc(Cl)cn1
InChIInChI=1S/C13H11ClN6O/c14-10-8-16-9(7-17-10)13(21)15-5-4-12-19-18-11-3-1-2-6-20(11)12/h1-3,6-8H,4-5H2,(H,15,21)
InChIKeyBCJHPFNEKCIRFO-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.15
Rot. Bonds4

About 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide

5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 103803871) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID103803871
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cnc(Cl)cn1
InChIInChI=1S/C13H11ClN6O/c14-10-8-16-9(7-17-10)13(21)15-5-4-12-19-18-11-3-1-2-6-20(11)12/h1-3,6-8H,4-5H2,(H,15,21)
InChIKeyBCJHPFNEKCIRFO-UHFFFAOYSA-N
XLogP1.15
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474315
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
5-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2,5-dicarboxamide
CID 86858578
3-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 66483359
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
2-pyrimidin-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 87008786
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide (CID 103803871) is 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1nnc2ccccn12)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is BCJHPFNEKCIRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c14-10-8-16-9(7-17-10)13(21)15-5-4-12-19-18-11-3-1-2-6-20(11)12/h1-3,6-8H,4-5H2,(H,15,21).
What are the key properties of 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 302.73 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103803871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).