N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine

C14H15N5O — CID 166434660

IUPACN-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine
SMILESCCOc1cncc(CNc2cccc3n[nH]nc23)c1
InChIInChI=1S/C14H15N5O/c1-2-20-11-6-10(7-15-9-11)8-16-12-4-3-5-13-14(12)18-19-17-13/h3-7,9,16H,2,8H2,1H3,(H,17,18,19)
InChIKeyNEGSSURMFDAURM-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds5

About N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine

N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine (PubChem CID 166434660) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine.

Molecular Properties

Compound NameN-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine
PubChem CID166434660
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine
SMILESCCOc1cncc(CNc2cccc3n[nH]nc23)c1
InChIInChI=1S/C14H15N5O/c1-2-20-11-6-10(7-15-9-11)8-16-12-4-3-5-13-14(12)18-19-17-13/h3-7,9,16H,2,8H2,1H3,(H,17,18,19)
InChIKeyNEGSSURMFDAURM-UHFFFAOYSA-N
XLogP2.36
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline
CID 166356932
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
CID 60871982
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599
2-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 60874267
2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
CID 60873888
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
N-(2H-benzotriazol-4-yl)nitrous amide
CID 66968771
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine?
The IUPAC name of N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine (CID 166434660) is N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine.
What is the SMILES notation for N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine?
The canonical SMILES for N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine is CCOc1cncc(CNc2cccc3n[nH]nc23)c1.
What is the InChIKey of N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine?
The InChIKey is NEGSSURMFDAURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-20-11-6-10(7-15-9-11)8-16-12-4-3-5-13-14(12)18-19-17-13/h3-7,9,16H,2,8H2,1H3,(H,17,18,19).
What are the key properties of N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine?
N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine has a molecular weight of 269.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine is sourced from PubChem (CID 166434660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).