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

C11H14N4O — CID 103204553

IUPACN-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
SMILESCOC(C)CNc1nnc2ccccc2n1
InChIInChI=1S/C11H14N4O/c1-8(16-2)7-12-11-13-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,12,13,15)
InChIKeyHUXJPMVDSFXHTB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.47
Rot. Bonds4

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

N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204553) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
PubChem CID103204553
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
SMILESCOC(C)CNc1nnc2ccccc2n1
InChIInChI=1S/C11H14N4O/c1-8(16-2)7-12-11-13-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,12,13,15)
InChIKeyHUXJPMVDSFXHTB-UHFFFAOYSA-N
XLogP1.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine (CID 103204553) is N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine is COC(C)CNc1nnc2ccccc2n1.
What is the InChIKey of N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is HUXJPMVDSFXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(16-2)7-12-11-13-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,12,13,15).
What are the key properties of N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine?
N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 218.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).