N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine

C18H15N5O2 — CID 112962734

IUPACN-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESc1ccc2c(c1)CCN2c1nncc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H15N5O2/c1-2-4-14-12(3-1)7-8-23(14)18-21-17(10-19-22-18)20-13-5-6-15-16(9-13)25-11-24-15/h1-6,9-10H,7-8,11H2,(H,20,21,22)
InChIKeyYQNDEDSKGIXBQZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.04
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine

N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112962734) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
PubChem CID112962734
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESc1ccc2c(c1)CCN2c1nncc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H15N5O2/c1-2-4-14-12(3-1)7-8-23(14)18-21-17(10-19-22-18)20-13-5-6-15-16(9-13)25-11-24-15/h1-6,9-10H,7-8,11H2,(H,20,21,22)
InChIKeyYQNDEDSKGIXBQZ-UHFFFAOYSA-N
XLogP3.04
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724
3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 112961433
3-(2,3-dihydroindol-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962664
5-N-(1,3-benzodioxol-5-yl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961708
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335430
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112962871
N-(1,3-benzodioxol-5-yl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873895
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962856
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946453
5-N-(1,3-benzodioxol-5-yl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940622

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (CID 112962734) is N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is c1ccc2c(c1)CCN2c1nncc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is YQNDEDSKGIXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-2-4-14-12(3-1)7-8-23(14)18-21-17(10-19-22-18)20-13-5-6-15-16(9-13)25-11-24-15/h1-6,9-10H,7-8,11H2,(H,20,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 333.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112962734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).