6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H17N5 — CID 82557153

IUPAC6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNCc1ccc(C2CCc3nc(N)nn3C2)cc1
InChIInChI=1S/C13H17N5/c14-7-9-1-3-10(4-2-9)11-5-6-12-16-13(15)17-18(12)8-11/h1-4,11H,5-8,14H2,(H2,15,17)
InChIKeyIGSMAZXLUADWIV-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.05
Rot. Bonds2

About 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557153) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557153
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNCc1ccc(C2CCc3nc(N)nn3C2)cc1
InChIInChI=1S/C13H17N5/c14-7-9-1-3-10(4-2-9)11-5-6-12-16-13(15)17-18(12)8-11/h1-4,11H,5-8,14H2,(H2,15,17)
InChIKeyIGSMAZXLUADWIV-UHFFFAOYSA-N
XLogP1.05
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

6-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557124
6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557133
6-quinolin-8-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557151
[4-(1-methylazetidin-3-yl)phenyl]methanamine
CID 83827683
5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557225
(4-cyclohexylphenyl)methanamine
CID 22246867
4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid
CID 82557107
4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966796
[2-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 82568058
[4-(oxolan-3-yl)phenyl]methanamine
CID 83827764
7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557056
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557153) is 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is NCc1ccc(C2CCc3nc(N)nn3C2)cc1.
What is the InChIKey of 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IGSMAZXLUADWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-7-9-1-3-10(4-2-9)11-5-6-12-16-13(15)17-18(12)8-11/h1-4,11H,5-8,14H2,(H2,15,17).
What are the key properties of 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).