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

C14H18N4 — CID 83965463

IUPAC2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC1CC(N)Cn2nc(Cc3ccccc3)nc21
InChIInChI=1S/C14H18N4/c1-10-7-12(15)9-18-14(10)16-13(17-18)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3
InChIKeyVVYSENOHOWJRDZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.70
Rot. Bonds2

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

2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 83965463) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID83965463
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC1CC(N)Cn2nc(Cc3ccccc3)nc21
InChIInChI=1S/C14H18N4/c1-10-7-12(15)9-18-14(10)16-13(17-18)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3
InChIKeyVVYSENOHOWJRDZ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117158112
2-benzyl-6-chloro-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazine
CID 10468071
8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117158127
8-methyl-2-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 115910880
4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966796
(1S,2S,4S)-2-amino-4-[2-benzyl-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
CID 155938744
2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine
CID 16751720
3-[2-butyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine
CID 156604052
(3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine
CID 95566552
4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83965265
1-benzyl-6-methylpiperidin-3-amine
CID 54593768
4-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966787

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 83965463) is 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CC1CC(N)Cn2nc(Cc3ccccc3)nc21.
What is the InChIKey of 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is VVYSENOHOWJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-7-12(15)9-18-14(10)16-13(17-18)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3.
What are the key properties of 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 242.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 83965463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).