[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

C11H17N7 — CID 114040623

IUPAC[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
SMILESCC(c1nnc2n1CC(CN)CC2)n1cncn1
InChIInChI=1S/C11H17N7/c1-8(18-7-13-6-14-18)11-16-15-10-3-2-9(4-12)5-17(10)11/h6-9H,2-5,12H2,1H3
InChIKeyCKFUDAAFBDDADZ-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.00
Rot. Bonds3

About [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

[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 (PubChem CID 114040623) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID114040623
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name[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
SMILESCC(c1nnc2n1CC(CN)CC2)n1cncn1
InChIInChI=1S/C11H17N7/c1-8(18-7-13-6-14-18)11-16-15-10-3-2-9(4-12)5-17(10)11/h6-9H,2-5,12H2,1H3
InChIKeyCKFUDAAFBDDADZ-UHFFFAOYSA-N
XLogP-0.00
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Related Compounds

[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
[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
CID 105392234
(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 83865677
[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 105392067
[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
(3-chloro-2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 83869922
(3-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 105392259
[2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 83866042
[3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392205
(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 105392121
[3-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392157
2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 81250629

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(c1nnc2n1CC(CN)CC2)n1cncn1.
What is the InChIKey of [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?
The InChIKey is CKFUDAAFBDDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-8(18-7-13-6-14-18)11-16-15-10-3-2-9(4-12)5-17(10)11/h6-9H,2-5,12H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 247.31 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 114040623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).