1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde

C12H11N5O — CID 66214365

IUPAC1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde
SMILESCc1ccc2nc(Cn3cc(C=O)nn3)cn2c1
InChIInChI=1S/C12H11N5O/c1-9-2-3-12-13-10(5-16(12)4-9)6-17-7-11(8-18)14-15-17/h2-5,7-8H,6H2,1H3
InChIKeyLWWDYSKGAFASCX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.10
Rot. Bonds3

About 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde

1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde (PubChem CID 66214365) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde
PubChem CID66214365
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde
SMILESCc1ccc2nc(Cn3cc(C=O)nn3)cn2c1
InChIInChI=1S/C12H11N5O/c1-9-2-3-12-13-10(5-16(12)4-9)6-17-7-11(8-18)14-15-17/h2-5,7-8H,6H2,1H3
InChIKeyLWWDYSKGAFASCX-UHFFFAOYSA-N
XLogP1.10
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde?
The IUPAC name of 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde (CID 66214365) is 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde.
What is the SMILES notation for 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde?
The canonical SMILES for 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde is Cc1ccc2nc(Cn3cc(C=O)nn3)cn2c1.
What is the InChIKey of 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde?
The InChIKey is LWWDYSKGAFASCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-9-2-3-12-13-10(5-16(12)4-9)6-17-7-11(8-18)14-15-17/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde?
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde is sourced from PubChem (CID 66214365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).