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

C10H15N7 — CID 114040624

IUPAC[3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESNCC1CCc2nnc(Cn3cncn3)n2C1
InChIInChI=1S/C10H15N7/c11-3-8-1-2-9-14-15-10(17(9)4-8)5-16-7-12-6-13-16/h6-8H,1-5,11H2
InChIKeyGKWLXPAJPRHSGI-UHFFFAOYSA-N
MW233.28 g/mol
LogP-0.56
Rot. Bonds3

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

[3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 114040624) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is [3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID114040624
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name[3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESNCC1CCc2nnc(Cn3cncn3)n2C1
InChIInChI=1S/C10H15N7/c11-3-8-1-2-9-14-15-10(17(9)4-8)5-16-7-12-6-13-16/h6-8H,1-5,11H2
InChIKeyGKWLXPAJPRHSGI-UHFFFAOYSA-N
XLogP-0.56
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 105392067
[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
4-(aminomethyl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168661198
[1-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 56707020
[3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392207
[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392071
[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
(2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one
CID 51669378
[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine
CID 119909413
[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
CID 105392234

Frequently Asked Questions

What is the IUPAC name of [3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of [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) is [3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is NCC1CCc2nnc(Cn3cncn3)n2C1.
What is the InChIKey of [3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is GKWLXPAJPRHSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c11-3-8-1-2-9-14-15-10(17(9)4-8)5-16-7-12-6-13-16/h6-8H,1-5,11H2.
What are the key properties of [3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
[3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 233.28 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 114040624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).