N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine

C18H22N4 — CID 89433385

IUPACN-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCC[C@H](CC1=CCc2ccccc21)Nc1nnc(C)c(C)n1
InChIInChI=1S/C18H22N4/c1-4-16(20-18-19-12(2)13(3)21-22-18)11-15-10-9-14-7-5-6-8-17(14)15/h5-8,10,16H,4,9,11H2,1-3H3,(H,19,20,22)/t16-/m1/s1
InChIKeyCIAUCDRSWMJZMU-MRXNPFEDSA-N
MW294.40 g/mol
LogP3.71
Rot. Bonds5

About N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine

N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 89433385) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID89433385
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCC[C@H](CC1=CCc2ccccc21)Nc1nnc(C)c(C)n1
InChIInChI=1S/C18H22N4/c1-4-16(20-18-19-12(2)13(3)21-22-18)11-15-10-9-14-7-5-6-8-17(14)15/h5-8,10,16H,4,9,11H2,1-3H3,(H,19,20,22)/t16-/m1/s1
InChIKeyCIAUCDRSWMJZMU-MRXNPFEDSA-N
XLogP3.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 89433385) is N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine is CC[C@H](CC1=CCc2ccccc21)Nc1nnc(C)c(C)n1.
What is the InChIKey of N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is CIAUCDRSWMJZMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4/c1-4-16(20-18-19-12(2)13(3)21-22-18)11-15-10-9-14-7-5-6-8-17(14)15/h5-8,10,16H,4,9,11H2,1-3H3,(H,19,20,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 294.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 89433385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).