[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine

C16H17N5 — CID 82198469

IUPAC[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
SMILESCCc1ccc(-n2nnc(CN)c2-c2cccnc2)cc1
InChIInChI=1S/C16H17N5/c1-2-12-5-7-14(8-6-12)21-16(15(10-17)19-20-21)13-4-3-9-18-11-13/h3-9,11H,2,10,17H2,1H3
InChIKeyUIASDEVHFQEZKF-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.35
Rot. Bonds4

About [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine

[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine (PubChem CID 82198469) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
PubChem CID82198469
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
SMILESCCc1ccc(-n2nnc(CN)c2-c2cccnc2)cc1
InChIInChI=1S/C16H17N5/c1-2-12-5-7-14(8-6-12)21-16(15(10-17)19-20-21)13-4-3-9-18-11-13/h3-9,11H,2,10,17H2,1H3
InChIKeyUIASDEVHFQEZKF-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82198431
[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198461
[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82197503
[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine
CID 82198454
2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid
CID 94935955
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82211840
methyl 4-[4-(aminomethyl)-5-phenyltriazol-1-yl]benzoate
CID 94939721
[1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 94938494
1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199168
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266244
[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211157
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine (CID 82198469) is [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine is CCc1ccc(-n2nnc(CN)c2-c2cccnc2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine?
The InChIKey is UIASDEVHFQEZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-12-5-7-14(8-6-12)21-16(15(10-17)19-20-21)13-4-3-9-18-11-13/h3-9,11H,2,10,17H2,1H3.
What are the key properties of [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine?
[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine has a molecular weight of 279.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82198469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).