[2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine

C14H18N4O — CID 103204995

IUPAC[2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COc1nnc2ccccc2n1
InChIInChI=1S/C14H18N4O/c15-8-10-4-3-5-11(10)9-19-14-16-12-6-1-2-7-13(12)17-18-14/h1-2,6-7,10-11H,3-5,8-9,15H2
InChIKeyJWSADFVVGYNLTO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.78
Rot. Bonds4

About [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine

[2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine (PubChem CID 103204995) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine
PubChem CID103204995
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COc1nnc2ccccc2n1
InChIInChI=1S/C14H18N4O/c15-8-10-4-3-5-11(10)9-19-14-16-12-6-1-2-7-13(12)17-18-14/h1-2,6-7,10-11H,3-5,8-9,15H2
InChIKeyJWSADFVVGYNLTO-UHFFFAOYSA-N
XLogP1.78
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine?
The IUPAC name of [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine (CID 103204995) is [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine is NCC1CCCC1COc1nnc2ccccc2n1.
What is the InChIKey of [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine?
The InChIKey is JWSADFVVGYNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-8-10-4-3-5-11(10)9-19-14-16-12-6-1-2-7-13(12)17-18-14/h1-2,6-7,10-11H,3-5,8-9,15H2.
What are the key properties of [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine?
[2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine is sourced from PubChem (CID 103204995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).