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

C13H15N7 — CID 103569241

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCn1cc(CNc2ccc(-n3cncn3)nc2)cn1
InChIInChI=1S/C13H15N7/c1-2-19-8-11(6-17-19)5-15-12-3-4-13(16-7-12)20-10-14-9-18-20/h3-4,6-10,15H,2,5H2,1H3
InChIKeyINRUGNZHQJSRIE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.49
Rot. Bonds5

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

N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 103569241) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID103569241
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCn1cc(CNc2ccc(-n3cncn3)nc2)cn1
InChIInChI=1S/C13H15N7/c1-2-19-8-11(6-17-19)5-15-12-3-4-13(16-7-12)20-10-14-9-18-20/h3-4,6-10,15H,2,5H2,1H3
InChIKeyINRUGNZHQJSRIE-UHFFFAOYSA-N
XLogP1.49
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
N-[(1-ethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 103823647
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114555142
N-[(1-ethylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 103823635
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691536
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691631
N-[(2,6-dichlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691581
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107685453
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 103569241) is N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CCn1cc(CNc2ccc(-n3cncn3)nc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is INRUGNZHQJSRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-2-19-8-11(6-17-19)5-15-12-3-4-13(16-7-12)20-10-14-9-18-20/h3-4,6-10,15H,2,5H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 269.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 103569241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).