6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine

C12H17N5O — CID 63590782

IUPAC6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCCOc1cccc(NCCc2nncn2C)n1
InChIInChI=1S/C12H17N5O/c1-3-18-12-6-4-5-10(15-12)13-8-7-11-16-14-9-17(11)2/h4-6,9H,3,7-8H2,1-2H3,(H,13,15)
InChIKeyQGULWTJIZXHRCZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.26
Rot. Bonds6

About 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine

6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 63590782) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
PubChem CID63590782
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCCOc1cccc(NCCc2nncn2C)n1
InChIInChI=1S/C12H17N5O/c1-3-18-12-6-4-5-10(15-12)13-8-7-11-16-14-9-17(11)2/h4-6,9H,3,7-8H2,1-2H3,(H,13,15)
InChIKeyQGULWTJIZXHRCZ-UHFFFAOYSA-N
XLogP1.26
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80830333
6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63589349
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 63330785
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330454
4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330777
2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 63329108
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186385
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (CID 63590782) is 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is CCOc1cccc(NCCc2nncn2C)n1.
What is the InChIKey of 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is QGULWTJIZXHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-18-12-6-4-5-10(15-12)13-8-7-11-16-14-9-17(11)2/h4-6,9H,3,7-8H2,1-2H3,(H,13,15).
What are the key properties of 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 63590782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).