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

C14H18N4 — CID 117155703

IUPAC2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1ccccc1Cc1nc2n(n1)C(N)CCC2
InChIInChI=1S/C14H18N4/c1-10-5-2-3-6-11(10)9-13-16-14-8-4-7-12(15)18(14)17-13/h2-3,5-6,12H,4,7-9,15H2,1H3
InChIKeyMCOSHVGLCJQASU-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.97
Rot. Bonds2

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

2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 117155703) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID117155703
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1ccccc1Cc1nc2n(n1)C(N)CCC2
InChIInChI=1S/C14H18N4/c1-10-5-2-3-6-11(10)9-13-16-14-8-4-7-12(15)18(14)17-13/h2-3,5-6,12H,4,7-9,15H2,1H3
InChIKeyMCOSHVGLCJQASU-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

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

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155697
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155771
5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567632
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155313
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155048
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155468
8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117158127
[2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156276
2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190657
2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 112711625
2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117128477
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350963

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 117155703) is 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1ccccc1Cc1nc2n(n1)C(N)CCC2.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is MCOSHVGLCJQASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-5-2-3-6-11(10)9-13-16-14-8-4-7-12(15)18(14)17-13/h2-3,5-6,12H,4,7-9,15H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-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 2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 117155703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).