2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine

C15H14ClN5 — CID 105157346

IUPAC2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
SMILESNC(Cc1ccncc1Cl)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H14ClN5/c16-13-9-18-7-6-11(13)8-14(17)15-10-19-21(20-15)12-4-2-1-3-5-12/h1-7,9-10,14H,8,17H2
InChIKeyXFWKCRWUEQVHKY-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.56
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine

2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine (PubChem CID 105157346) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
PubChem CID105157346
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
SMILESNC(Cc1ccncc1Cl)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H14ClN5/c16-13-9-18-7-6-11(13)8-14(17)15-10-19-21(20-15)12-4-2-1-3-5-12/h1-7,9-10,14H,8,17H2
InChIKeyXFWKCRWUEQVHKY-UHFFFAOYSA-N
XLogP2.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105135061
2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanone
CID 105107588
(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
CID 105099586
2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127460
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine
CID 104845244
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60819170
2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105096491
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
CID 112655522
1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150214

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine (CID 105157346) is 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine is NC(Cc1ccncc1Cl)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine?
The InChIKey is XFWKCRWUEQVHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-13-9-18-7-6-11(13)8-14(17)15-10-19-21(20-15)12-4-2-1-3-5-12/h1-7,9-10,14H,8,17H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine has a molecular weight of 299.77 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 105157346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).