1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine

C12H14N6 — CID 105359666

IUPAC1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2cn3ccccc3n2)n1
InChIInChI=1S/C12H14N6/c1-9(13)12-14-8-18(16-12)7-10-6-17-5-3-2-4-11(17)15-10/h2-6,8-9H,7,13H2,1H3
InChIKeySGDHBQQHWMNKLP-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.99
Rot. Bonds3

About 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine

1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359666) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359666
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2cn3ccccc3n2)n1
InChIInChI=1S/C12H14N6/c1-9(13)12-14-8-18(16-12)7-10-6-17-5-3-2-4-11(17)15-10/h2-6,8-9H,7,13H2,1H3
InChIKeySGDHBQQHWMNKLP-UHFFFAOYSA-N
XLogP0.99
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 78955690
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719446
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
1-(imidazo[1,2-a]pyridin-2-ylmethylsulfinyl)propan-2-amine
CID 81188495
(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride
CID 155970924
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methylphenyl]ethanamine
CID 60888457
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
CID 55066990
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-2-yl]methanamine
CID 62221773

Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine (CID 105359666) is 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncn(Cc2cn3ccccc3n2)n1.
What is the InChIKey of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is SGDHBQQHWMNKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-9(13)12-14-8-18(16-12)7-10-6-17-5-3-2-4-11(17)15-10/h2-6,8-9H,7,13H2,1H3.
What are the key properties of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 242.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).