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

C18H25N5 — CID 156875201

IUPAC3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine
SMILESCc1nnc([C@@H](C)c2ccccc2)c(NC2CCN(C)CC2)n1
InChIInChI=1S/C18H25N5/c1-13(15-7-5-4-6-8-15)17-18(19-14(2)21-22-17)20-16-9-11-23(3)12-10-16/h4-8,13,16H,9-12H2,1-3H3,(H,19,20,21)/t13-/m0/s1
InChIKeyDJRODBBSNKHISY-ZDUSSCGKSA-N
MW311.43 g/mol
LogP2.84
Rot. Bonds4

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

3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine (PubChem CID 156875201) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine
PubChem CID156875201
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine
SMILESCc1nnc([C@@H](C)c2ccccc2)c(NC2CCN(C)CC2)n1
InChIInChI=1S/C18H25N5/c1-13(15-7-5-4-6-8-15)17-18(19-14(2)21-22-17)20-16-9-11-23(3)12-10-16/h4-8,13,16H,9-12H2,1-3H3,(H,19,20,21)/t13-/m0/s1
InChIKeyDJRODBBSNKHISY-ZDUSSCGKSA-N
XLogP2.84
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 166772519
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
N-(2,2-dimethyl-1-phenylpropyl)-1-methylpiperidin-4-amine
CID 43693262
2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
CID 62477526
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal
CID 142989606
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
CID 119871542

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine (CID 156875201) is 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine is Cc1nnc([C@@H](C)c2ccccc2)c(NC2CCN(C)CC2)n1.
What is the InChIKey of 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine?
The InChIKey is DJRODBBSNKHISY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5/c1-13(15-7-5-4-6-8-15)17-18(19-14(2)21-22-17)20-16-9-11-23(3)12-10-16/h4-8,13,16H,9-12H2,1-3H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine?
3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine has a molecular weight of 311.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 156875201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).