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

C11H14N4O — CID 103204068

IUPACN-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
SMILESCOCCCNc1nnc2ccccc2n1
InChIInChI=1S/C11H14N4O/c1-16-8-4-7-12-11-13-9-5-2-3-6-10(9)14-15-11/h2-3,5-6H,4,7-8H2,1H3,(H,12,13,15)
InChIKeyCVFBDLLOZNIBJH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.47
Rot. Bonds5

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

N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204068) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
PubChem CID103204068
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
SMILESCOCCCNc1nnc2ccccc2n1
InChIInChI=1S/C11H14N4O/c1-16-8-4-7-12-11-13-9-5-2-3-6-10(9)14-15-11/h2-3,5-6H,4,7-8H2,1H3,(H,12,13,15)
InChIKeyCVFBDLLOZNIBJH-UHFFFAOYSA-N
XLogP1.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,2,4-benzotriazin-3-yl)butane-1,4-diamine
CID 103203967
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-[3-(1,2,4-benzotriazin-3-ylamino)propyl]methanesulfonamide
CID 106337308
N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 106261896
N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204553
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
N-but-3-enyl-1,2,4-benzotriazin-3-amine
CID 103204487
N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
CID 86910075
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
CID 80866995
N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204337

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine (CID 103204068) is N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine is COCCCNc1nnc2ccccc2n1.
What is the InChIKey of N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is CVFBDLLOZNIBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-8-4-7-12-11-13-9-5-2-3-6-10(9)14-15-11/h2-3,5-6H,4,7-8H2,1H3,(H,12,13,15).
What are the key properties of N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine?
N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 218.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).