5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine

C23H27N5 — CID 19787791

IUPAC5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine
SMILESCCN1CCCC1N(C)c1nnc(-c2ccccc2)nc1Cc1ccccc1
InChIInChI=1S/C23H27N5/c1-3-28-16-10-15-21(28)27(2)23-20(17-18-11-6-4-7-12-18)24-22(25-26-23)19-13-8-5-9-14-19/h4-9,11-14,21H,3,10,15-17H2,1-2H3
InChIKeyDWYSBGPZVNMRHO-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.01
Rot. Bonds6

About 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine

5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine (PubChem CID 19787791) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine.

Molecular Properties

Compound Name5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine
PubChem CID19787791
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine
SMILESCCN1CCCC1N(C)c1nnc(-c2ccccc2)nc1Cc1ccccc1
InChIInChI=1S/C23H27N5/c1-3-28-16-10-15-21(28)27(2)23-20(17-18-11-6-4-7-12-18)24-22(25-26-23)19-13-8-5-9-14-19/h4-9,11-14,21H,3,10,15-17H2,1-2H3
InChIKeyDWYSBGPZVNMRHO-UHFFFAOYSA-N
XLogP4.01
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine
CID 54377972
2-N-(1-ethylpyrrolidin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 69320907
5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine
CID 19787781
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
(4-benzylphenoxy)-(1-ethylpyrrolidin-2-yl)methanol
CID 67649751
2-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089328
2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
CID 18928668
1-benzyl-2-ethyl-N-methylpiperidin-3-amine
CID 83850528
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60501362
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine
CID 95099026

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine?
The IUPAC name of 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine (CID 19787791) is 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine.
What is the SMILES notation for 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine?
The canonical SMILES for 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine is CCN1CCCC1N(C)c1nnc(-c2ccccc2)nc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine?
The InChIKey is DWYSBGPZVNMRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-3-28-16-10-15-21(28)27(2)23-20(17-18-11-6-4-7-12-18)24-22(25-26-23)19-13-8-5-9-14-19/h4-9,11-14,21H,3,10,15-17H2,1-2H3.
What are the key properties of 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine?
5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine has a molecular weight of 373.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine is sourced from PubChem (CID 19787791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).