N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine

C15H18N6 — CID 114687984

IUPACN-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H18N6/c1-3-16-15(12-9-18-20(2)11-12)14-10-17-19-21(14)13-7-5-4-6-8-13/h4-11,15-16H,3H2,1-2H3
InChIKeyUSXTYTQXTCYXBC-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.70
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine

N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine (PubChem CID 114687984) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
PubChem CID114687984
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H18N6/c1-3-16-15(12-9-18-20(2)11-12)14-10-17-19-21(14)13-7-5-4-6-8-13/h4-11,15-16H,3H2,1-2H3
InChIKeyUSXTYTQXTCYXBC-UHFFFAOYSA-N
XLogP1.70
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[(5-iodothiophen-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043247
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
CID 105104643
N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114104180

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine (CID 114687984) is N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The InChIKey is USXTYTQXTCYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-16-15(12-9-18-20(2)11-12)14-10-17-19-21(14)13-7-5-4-6-8-13/h4-11,15-16H,3H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114687984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).