2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine

C19H17N5O — CID 2034260

IUPAC2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine
SMILESCOc1ccc(-n2nc3ccc(NCc4cccnc4)cc3n2)cc1
InChIInChI=1S/C19H17N5O/c1-25-17-7-5-16(6-8-17)24-22-18-9-4-15(11-19(18)23-24)21-13-14-3-2-10-20-12-14/h2-12,21H,13H2,1H3
InChIKeyJCKTVZGAWRTZHQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine

2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine (PubChem CID 2034260) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine
PubChem CID2034260
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine
SMILESCOc1ccc(-n2nc3ccc(NCc4cccnc4)cc3n2)cc1
InChIInChI=1S/C19H17N5O/c1-25-17-7-5-16(6-8-17)24-22-18-9-4-15(11-19(18)23-24)21-13-14-3-2-10-20-12-14/h2-12,21H,13H2,1H3
InChIKeyJCKTVZGAWRTZHQ-UHFFFAOYSA-N
XLogP3.44
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
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CID 141419786
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
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4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
CID 144774827
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038
3-N-(3-methoxyphenyl)-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952247

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine (CID 2034260) is 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine is COc1ccc(-n2nc3ccc(NCc4cccnc4)cc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine?
The InChIKey is JCKTVZGAWRTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-17-7-5-16(6-8-17)24-22-18-9-4-15(11-19(18)23-24)21-13-14-3-2-10-20-12-14/h2-12,21H,13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine?
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine has a molecular weight of 331.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine is sourced from PubChem (CID 2034260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).