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

C16H21N5 — CID 112941020

IUPACN-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
SMILESCCC(C)Nc1nncc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C16H21N5/c1-4-11(2)18-16-19-15(10-17-20-16)21-12(3)9-13-7-5-6-8-14(13)21/h5-8,10-12H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyURTCLPFMMCXJRM-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.16
Rot. Bonds4

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

N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112941020) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
PubChem CID112941020
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
SMILESCCC(C)Nc1nncc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C16H21N5/c1-4-11(2)18-16-19-15(10-17-20-16)21-12(3)9-13-7-5-6-8-14(13)21/h5-8,10-12H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyURTCLPFMMCXJRM-UHFFFAOYSA-N
XLogP3.16
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112964738
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-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948181
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112940908
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
CID 112968929
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
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-(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
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535
N-butan-2-yl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109111708
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890774

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine (CID 112941020) is N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine is CCC(C)Nc1nncc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is URTCLPFMMCXJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-11(2)18-16-19-15(10-17-20-16)21-12(3)9-13-7-5-6-8-14(13)21/h5-8,10-12H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).