3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine

C17H23N5 — CID 166772519

IUPAC3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine
SMILESCc1nnc(C(C)c2ccccc2)c(N[C@@H]2CCN(C)C2)n1
InChIInChI=1S/C17H23N5/c1-12(14-7-5-4-6-8-14)16-17(18-13(2)20-21-16)19-15-9-10-22(3)11-15/h4-8,12,15H,9-11H2,1-3H3,(H,18,19,20)/t12?,15-/m1/s1
InChIKeyXNSCEMHXKMGCOF-WPZCJLIBSA-N
MW297.41 g/mol
LogP2.45
Rot. Bonds4

About 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine

3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine (PubChem CID 166772519) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine
PubChem CID166772519
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine
SMILESCc1nnc(C(C)c2ccccc2)c(N[C@@H]2CCN(C)C2)n1
InChIInChI=1S/C17H23N5/c1-12(14-7-5-4-6-8-14)16-17(18-13(2)20-21-16)19-15-9-10-22(3)11-15/h4-8,12,15H,9-11H2,1-3H3,(H,18,19,20)/t12?,15-/m1/s1
InChIKeyXNSCEMHXKMGCOF-WPZCJLIBSA-N
XLogP2.45
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine with MolForge

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Related Compounds

3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine
CID 156875201
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
CID 62477526
1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 62976686
2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]phthalazin-1-one
CID 118928691
N-(2-methoxy-1-phenylethyl)-1-methylpyrrolidin-3-amine
CID 103902264
6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 115266358
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
CID 114405789
N-(1,2-diphenylethyl)-1-methylpyrrolidin-3-amine
CID 61462426
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine (CID 166772519) is 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine is Cc1nnc(C(C)c2ccccc2)c(N[C@@H]2CCN(C)C2)n1.
What is the InChIKey of 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine?
The InChIKey is XNSCEMHXKMGCOF-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H23N5/c1-12(14-7-5-4-6-8-14)16-17(18-13(2)20-21-16)19-15-9-10-22(3)11-15/h4-8,12,15H,9-11H2,1-3H3,(H,18,19,20)/t12?,15-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine?
3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine has a molecular weight of 297.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 166772519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).