N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine

C20H21N5O — CID 112950861

IUPACN-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESCOc1ccccc1CNc1cnnc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H21N5O/c1-14-11-15-7-3-5-9-17(15)25(14)20-23-19(13-22-24-20)21-12-16-8-4-6-10-18(16)26-2/h3-10,13-14H,11-12H2,1-2H3,(H,21,23,24)
InChIKeyJKDFKUPQRYPMQD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.58
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine

N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112950861) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
PubChem CID112950861
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESCOc1ccccc1CNc1cnnc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H21N5O/c1-14-11-15-7-3-5-9-17(15)25(14)20-23-19(13-22-24-20)21-12-16-8-4-6-10-18(16)26-2/h3-10,13-14H,11-12H2,1-2H3,(H,21,23,24)
InChIKeyJKDFKUPQRYPMQD-UHFFFAOYSA-N
XLogP3.58
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
N-[2-(3-chlorophenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112961100
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112947900
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
CID 112969041
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112950754
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948181
N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112969508
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950746
N-(5-chloro-2-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966302
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966744
3-N-[(2-chlorophenyl)methyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950324
5-N-[(2-methoxyphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940487

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (CID 112950861) is N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is COc1ccccc1CNc1cnnc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is JKDFKUPQRYPMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-11-15-7-3-5-9-17(15)25(14)20-23-19(13-22-24-20)21-12-16-8-4-6-10-18(16)26-2/h3-10,13-14H,11-12H2,1-2H3,(H,21,23,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 347.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112950861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).