N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine

C15H16N6 — CID 105149998

IUPACN-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H16N6/c1-2-17-15(13-10-16-8-9-18-13)14-11-19-21(20-14)12-6-4-3-5-7-12/h3-11,15,17H,2H2,1H3
InChIKeySJWVEZGIWAMBHX-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.76
Rot. Bonds5

About N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine

N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 105149998) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID105149998
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC NameN-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H16N6/c1-2-17-15(13-10-16-8-9-18-13)14-11-19-21(20-14)12-6-4-3-5-7-12/h3-11,15,17H,2H2,1H3
InChIKeySJWVEZGIWAMBHX-UHFFFAOYSA-N
XLogP1.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
CID 105146680
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 63974892
N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine
CID 105163963
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-ethyl-1-(2-phenyltriazol-4-yl)hex-5-en-1-amine
CID 105153106
N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149940
2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
CID 155961647
N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105150060
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)methanamine
CID 105148730
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
4-pentan-2-yl-2-phenyltriazole
CID 163429787
[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292082

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine (CID 105149998) is N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is SJWVEZGIWAMBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-17-15(13-10-16-8-9-18-13)14-11-19-21(20-14)12-6-4-3-5-7-12/h3-11,15,17H,2H2,1H3.
What are the key properties of N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine?
N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 105149998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).