N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine

C12H16N4O — CID 103204496

IUPACN-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine
SMILESCCOC(C)CNc1nnc2ccccc2n1
InChIInChI=1S/C12H16N4O/c1-3-17-9(2)8-13-12-14-10-6-4-5-7-11(10)15-16-12/h4-7,9H,3,8H2,1-2H3,(H,13,14,16)
InChIKeyQNFLTIYZTSAYIK-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.86
Rot. Bonds5

About N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine

N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204496) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine
PubChem CID103204496
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine
SMILESCCOC(C)CNc1nnc2ccccc2n1
InChIInChI=1S/C12H16N4O/c1-3-17-9(2)8-13-12-14-10-6-4-5-7-11(10)15-16-12/h4-7,9H,3,8H2,1-2H3,(H,13,14,16)
InChIKeyQNFLTIYZTSAYIK-UHFFFAOYSA-N
XLogP1.86
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine (CID 103204496) is N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine is CCOC(C)CNc1nnc2ccccc2n1.
What is the InChIKey of N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is QNFLTIYZTSAYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-17-9(2)8-13-12-14-10-6-4-5-7-11(10)15-16-12/h4-7,9H,3,8H2,1-2H3,(H,13,14,16).
What are the key properties of N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine?
N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).