5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H17N5 — CID 82557225

IUPAC5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNCc1cccc(C2CCCc3nc(N)nn32)c1
InChIInChI=1S/C13H17N5/c14-8-9-3-1-4-10(7-9)11-5-2-6-12-16-13(15)17-18(11)12/h1,3-4,7,11H,2,5-6,8,14H2,(H2,15,17)
InChIKeyMOQAKPRRSROHFL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.24
Rot. Bonds2

About 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557225) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557225
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNCc1cccc(C2CCCc3nc(N)nn32)c1
InChIInChI=1S/C13H17N5/c14-8-9-3-1-4-10(7-9)11-5-2-6-12-16-13(15)17-18(11)12/h1,3-4,7,11H,2,5-6,8,14H2,(H2,15,17)
InChIKeyMOQAKPRRSROHFL-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557225) is 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is NCc1cccc(C2CCCc3nc(N)nn32)c1.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MOQAKPRRSROHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-8-9-3-1-4-10(7-9)11-5-2-6-12-16-13(15)17-18(11)12/h1,3-4,7,11H,2,5-6,8,14H2,(H2,15,17).
What are the key properties of 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[3-(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 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).