[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine

C16H17N5 — CID 82206282

IUPAC[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESCC(c1ccccc1)n1nnc(CN)c1-c1ccncc1
InChIInChI=1S/C16H17N5/c1-12(13-5-3-2-4-6-13)21-16(15(11-17)19-20-21)14-7-9-18-10-8-14/h2-10,12H,11,17H2,1H3
InChIKeyFOQTXOVSIKFQSE-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.41
Rot. Bonds4

About [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine

[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine (PubChem CID 82206282) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
PubChem CID82206282
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESCC(c1ccccc1)n1nnc(CN)c1-c1ccncc1
InChIInChI=1S/C16H17N5/c1-12(13-5-3-2-4-6-13)21-16(15(11-17)19-20-21)14-7-9-18-10-8-14/h2-10,12H,11,17H2,1H3
InChIKeyFOQTXOVSIKFQSE-UHFFFAOYSA-N
XLogP2.41
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206224
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine
CID 82206285
[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82208441
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
[1-(3-phenoxypropyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94945102
[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206167
[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82203445
[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine
CID 82207058
3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
CID 82206301
3-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]propane-1,2-diol
CID 82210377
[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94939085

Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine (CID 82206282) is [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine is CC(c1ccccc1)n1nnc(CN)c1-c1ccncc1.
What is the InChIKey of [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The InChIKey is FOQTXOVSIKFQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12(13-5-3-2-4-6-13)21-16(15(11-17)19-20-21)14-7-9-18-10-8-14/h2-10,12H,11,17H2,1H3.
What are the key properties of [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine has a molecular weight of 279.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82206282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).