N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine

C21H25N5O — CID 45228205

IUPACN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(NCCC3CCN(Cc4ccccc4)C3)n2)o1
InChIInChI=1S/C21H25N5O/c1-16-7-8-20(27-16)19-13-23-25-21(24-19)22-11-9-18-10-12-26(15-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,22,24,25)
InChIKeyPYOFYQXAKSFLOH-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.76
Rot. Bonds7

About N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine

N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine (PubChem CID 45228205) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
PubChem CID45228205
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(NCCC3CCN(Cc4ccccc4)C3)n2)o1
InChIInChI=1S/C21H25N5O/c1-16-7-8-20(27-16)19-13-23-25-21(24-19)22-11-9-18-10-12-26(15-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,22,24,25)
InChIKeyPYOFYQXAKSFLOH-UHFFFAOYSA-N
XLogP3.76
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56903299
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506217
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45230985
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
CID 53273477
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95219752
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine
CID 58830053
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine (CID 45228205) is N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine is Cc1ccc(-c2cnnc(NCCC3CCN(Cc4ccccc4)C3)n2)o1.
What is the InChIKey of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is PYOFYQXAKSFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-7-8-20(27-16)19-13-23-25-21(24-19)22-11-9-18-10-12-26(15-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,22,24,25).
What are the key properties of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 363.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 45228205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).