2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine

C13H14ClN5 — CID 55071441

IUPAC2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(Cn3cc(CCCl)nn3)cn2c1
InChIInChI=1S/C13H14ClN5/c1-10-2-3-13-15-12(7-18(13)6-10)9-19-8-11(4-5-14)16-17-19/h2-3,6-8H,4-5,9H2,1H3
InChIKeyKEFRZCVZPOQSKP-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.06
Rot. Bonds4

About 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine

2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine (PubChem CID 55071441) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
PubChem CID55071441
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(Cn3cc(CCCl)nn3)cn2c1
InChIInChI=1S/C13H14ClN5/c1-10-2-3-13-15-12(7-18(13)6-10)9-19-8-11(4-5-14)16-17-19/h2-3,6-8H,4-5,9H2,1H3
InChIKeyKEFRZCVZPOQSKP-UHFFFAOYSA-N
XLogP2.06
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde
CID 66214365
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine
CID 62393880
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]quinoline
CID 62401191
4-(2-chloroethyl)-1-[(4-ethylphenyl)methyl]triazole
CID 62401767
4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine
CID 62401771
4-(2-chloroethyl)-1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazole
CID 62401385
1-[(2-chloro-4-methylphenyl)methyl]-4-(3-chloropropyl)triazole
CID 106869397
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
CID 55066990
5-tert-butyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine
CID 79537113
2-[[4-(5-methoxy-1H-indazol-4-yl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 175276141
4-(2-chloroethyl)-1-(thiophen-2-ylmethyl)triazole
CID 62400654
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine (CID 55071441) is 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine is Cc1ccc2nc(Cn3cc(CCCl)nn3)cn2c1.
What is the InChIKey of 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The InChIKey is KEFRZCVZPOQSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-10-2-3-13-15-12(7-18(13)6-10)9-19-8-11(4-5-14)16-17-19/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine has a molecular weight of 275.74 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 55071441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).