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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Related Compounds

N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204496
N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204337
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
4-(1,2,4-benzotriazin-3-ylamino)-3-methoxybutanoic acid
CID 103203861
N-(2-chloro-3-ethylpentyl)-1,2,4-benzotriazin-3-amine
CID 106286752
N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204068
N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204232
N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204138
N-(1,2,4-benzotriazin-3-yl)-2-ethylbutane-1,4-diamine
CID 103205220
N-(1,2,4-benzotriazin-3-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048642
methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 106261896

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).