5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine

C22H24N6 — CID 112968929

IUPAC5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
SMILESCC1Cc2ccccc2N1c1cnnc(Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C22H24N6/c1-16-14-17-6-2-3-7-20(17)28(16)21-15-23-26-22(25-21)24-18-8-10-19(11-9-18)27-12-4-5-13-27/h2-3,6-11,15-16H,4-5,12-14H2,1H3,(H,24,25,26)
InChIKeyRVAXKFVIOAVNLJ-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.30
Rot. Bonds4

About 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine

5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine (PubChem CID 112968929) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
PubChem CID112968929
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
SMILESCC1Cc2ccccc2N1c1cnnc(Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C22H24N6/c1-16-14-17-6-2-3-7-20(17)28(16)21-15-23-26-22(25-21)24-18-8-10-19(11-9-18)27-12-4-5-13-27/h2-3,6-11,15-16H,4-5,12-14H2,1H3,(H,24,25,26)
InChIKeyRVAXKFVIOAVNLJ-UHFFFAOYSA-N
XLogP4.30
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112965361
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112969051
4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112969500
5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112969505
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112964738
N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112941020
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948181
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine
CID 112944196

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine (CID 112968929) is 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine is CC1Cc2ccccc2N1c1cnnc(Nc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is RVAXKFVIOAVNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-16-14-17-6-2-3-7-20(17)28(16)21-15-23-26-22(25-21)24-18-8-10-19(11-9-18)27-12-4-5-13-27/h2-3,6-11,15-16H,4-5,12-14H2,1H3,(H,24,25,26).
What are the key properties of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine?
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 372.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112968929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).