3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C13H19N5 — CID 113361809

IUPAC3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nccn1Cc1nnc2n1CCCC2
InChIInChI=1S/C13H19N5/c1-10(2)13-14-6-8-17(13)9-12-16-15-11-5-3-4-7-18(11)12/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyJETAPDDZBPMNHS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds3

About 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 113361809) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID113361809
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nccn1Cc1nnc2n1CCCC2
InChIInChI=1S/C13H19N5/c1-10(2)13-14-6-8-17(13)9-12-16-15-11-5-3-4-7-18(11)12/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyJETAPDDZBPMNHS-UHFFFAOYSA-N
XLogP1.98
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one
CID 107078733
N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-yl]methyl]cyclopropanamine
CID 107078498
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-one
CID 107078714
3-[(5-bromo-3-propan-2-ylpyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 136560748
3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 56869815
3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 56873192
3-[[(2R)-2-(2-methylpropyl)azepan-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 100620701
3-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 164634893
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-2-amine
CID 43356761
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81057329
2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 81073221
5-propan-2-yl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazole-4-carboxylic acid
CID 107078659

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 113361809) is 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nccn1Cc1nnc2n1CCCC2.
What is the InChIKey of 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JETAPDDZBPMNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)13-14-6-8-17(13)9-12-16-15-11-5-3-4-7-18(11)12/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 245.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 113361809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).