[3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C13H20N6 — CID 102813277

IUPAC[3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCCc1nn(C)cc1-c1nnc2n1CC(CN)CC2
InChIInChI=1S/C13H20N6/c1-3-11-10(8-18(2)17-11)13-16-15-12-5-4-9(6-14)7-19(12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyVCBFMDQSULKSJM-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.76
Rot. Bonds3

About [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

[3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 102813277) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID102813277
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name[3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCCc1nn(C)cc1-c1nnc2n1CC(CN)CC2
InChIInChI=1S/C13H20N6/c1-3-11-10(8-18(2)17-11)13-16-15-12-5-4-9(6-14)7-19(12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyVCBFMDQSULKSJM-UHFFFAOYSA-N
XLogP0.76
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

[3-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392157
[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392236
[3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392205
(3-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 105392259
(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 83865677
[3-[1-(1,2,4-triazol-1-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 114040623
[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 105392067
[3-(1,3-dihydro-2-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392131
4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670204
[3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 114040624
[3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 107979566
(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 105392121

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 102813277) is [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is CCc1nn(C)cc1-c1nnc2n1CC(CN)CC2.
What is the InChIKey of [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is VCBFMDQSULKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-11-10(8-18(2)17-11)13-16-15-12-5-4-9(6-14)7-19(12)13/h8-9H,3-7,14H2,1-2H3.
What are the key properties of [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
[3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 102813277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).