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

C14H18N4 — CID 117150341

IUPAC3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCc1ccc(Cc2nnc3n2C(N)CCC3)cc1
InChIInChI=1S/C14H18N4/c1-10-5-7-11(8-6-10)9-14-17-16-13-4-2-3-12(15)18(13)14/h5-8,12H,2-4,9,15H2,1H3
InChIKeyDBEGEBHREIGTSN-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.97
Rot. Bonds2

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

3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117150341) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117150341
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCc1ccc(Cc2nnc3n2C(N)CCC3)cc1
InChIInChI=1S/C14H18N4/c1-10-5-7-11(8-6-10)9-14-17-16-13-4-2-3-12(15)18(13)14/h5-8,12H,2-4,9,15H2,1H3
InChIKeyDBEGEBHREIGTSN-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117150341) is 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Cc1ccc(Cc2nnc3n2C(N)CCC3)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is DBEGEBHREIGTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-5-7-11(8-6-10)9-14-17-16-13-4-2-3-12(15)18(13)14/h5-8,12H,2-4,9,15H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 242.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117150341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).