4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline

C14H18N4 — CID 83966796

IUPAC4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
SMILESCC1CCc2nc(Cc3ccc(N)cc3)nn2C1
InChIInChI=1S/C14H18N4/c1-10-2-7-14-16-13(17-18(14)9-10)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9,15H2,1H3
InChIKeyLADXVGHKLPVDJK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.03
Rot. Bonds2

About 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline

4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline (PubChem CID 83966796) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
PubChem CID83966796
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
SMILESCC1CCc2nc(Cc3ccc(N)cc3)nn2C1
InChIInChI=1S/C14H18N4/c1-10-2-7-14-16-13(17-18(14)9-10)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9,15H2,1H3
InChIKeyLADXVGHKLPVDJK-UHFFFAOYSA-N
XLogP2.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The IUPAC name of 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline (CID 83966796) is 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The canonical SMILES for 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline is CC1CCc2nc(Cc3ccc(N)cc3)nn2C1.
What is the InChIKey of 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The InChIKey is LADXVGHKLPVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-2-7-14-16-13(17-18(14)9-10)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9,15H2,1H3.
What are the key properties of 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline has a molecular weight of 242.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline is sourced from PubChem (CID 83966796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).