2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine

C14H15N5 — CID 62563381

IUPAC2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1cncc(CNCCn2nnc3ccccc32)c1
InChIInChI=1S/C14H15N5/c1-2-6-14-13(5-1)17-18-19(14)9-8-16-11-12-4-3-7-15-10-12/h1-7,10,16H,8-9,11H2
InChIKeyBTPAKCQYFHEKNR-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.62
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 62563381) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID62563381
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1cncc(CNCCn2nnc3ccccc32)c1
InChIInChI=1S/C14H15N5/c1-2-6-14-13(5-1)17-18-19(14)9-8-16-11-12-4-3-7-15-10-12/h1-7,10,16H,8-9,11H2
InChIKeyBTPAKCQYFHEKNR-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62564068
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-[2-(benzotriazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62563724
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272841
2-(1H-benzimidazol-2-ylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62583732
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline
CID 55087842
3-(benzotriazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62563385
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 62563381) is 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine is c1cncc(CNCCn2nnc3ccccc32)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is BTPAKCQYFHEKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-6-14-13(5-1)17-18-19(14)9-8-16-11-12-4-3-7-15-10-12/h1-7,10,16H,8-9,11H2.
What are the key properties of 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 62563381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).