N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H18N4O — CID 107850992

IUPACN-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(CCNc2nc3ccc(C)cn3n2)c1
InChIInChI=1S/C16H18N4O/c1-12-6-7-15-18-16(19-20(15)11-12)17-9-8-13-4-3-5-14(10-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)
InChIKeyGSXKBVSBNDRKSU-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 107850992) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID107850992
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(CCNc2nc3ccc(C)cn3n2)c1
InChIInChI=1S/C16H18N4O/c1-12-6-7-15-18-16(19-20(15)11-12)17-9-8-13-4-3-5-14(10-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)
InChIKeyGSXKBVSBNDRKSU-UHFFFAOYSA-N
XLogP2.70
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538
6-N-[2-(3-methoxyphenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 107855522
4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895305
N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954228
4-N-tert-butyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895252
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941842
4-[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914496
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283394

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 107850992) is N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cccc(CCNc2nc3ccc(C)cn3n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GSXKBVSBNDRKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-6-7-15-18-16(19-20(15)11-12)17-9-8-13-4-3-5-14(10-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 107850992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).