2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine

C11H11N5 — CID 126624957

IUPAC2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cn2ccc(Cc3ncn[nH]3)cc2n1
InChIInChI=1S/C11H11N5/c1-8-6-16-3-2-9(5-11(16)14-8)4-10-12-7-13-15-10/h2-3,5-7H,4H2,1H3,(H,12,13,15)
InChIKeyNGADCGSQMHGJJB-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.35
Rot. Bonds2

About 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine

2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 126624957) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID126624957
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cn2ccc(Cc3ncn[nH]3)cc2n1
InChIInChI=1S/C11H11N5/c1-8-6-16-3-2-9(5-11(16)14-8)4-10-12-7-13-15-10/h2-3,5-7H,4H2,1H3,(H,12,13,15)
InChIKeyNGADCGSQMHGJJB-UHFFFAOYSA-N
XLogP1.35
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine (CID 126624957) is 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine is Cc1cn2ccc(Cc3ncn[nH]3)cc2n1.
What is the InChIKey of 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is NGADCGSQMHGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-8-6-16-3-2-9(5-11(16)14-8)4-10-12-7-13-15-10/h2-3,5-7H,4H2,1H3,(H,12,13,15).
What are the key properties of 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine?
2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 213.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(1H-1,2,4-triazol-5-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 126624957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).