N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine

C15H16N6 — CID 102923869

IUPACN-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H16N6/c1-2-18-15(12-8-16-11-17-9-12)14-10-19-20-21(14)13-6-4-3-5-7-13/h3-11,15,18H,2H2,1H3
InChIKeyFUAAFMZDPMWHQG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.76
Rot. Bonds5

About N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine

N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 102923869) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID102923869
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC NameN-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H16N6/c1-2-18-15(12-8-16-11-17-9-12)14-10-19-20-21(14)13-6-4-3-5-7-13/h3-11,15,18H,2H2,1H3
InChIKeyFUAAFMZDPMWHQG-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-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
N-[(5-iodothiophen-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043247
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 107330507
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380
N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine (CID 102923869) is N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is FUAAFMZDPMWHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-18-15(12-8-16-11-17-9-12)14-10-19-20-21(14)13-6-4-3-5-7-13/h3-11,15,18H,2H2,1H3.
What are the key properties of N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-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-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 102923869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).