N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine

C15H29N5O — CID 71928250

IUPACN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(CCCOC)C1
InChIInChI=1S/C15H29N5O/c1-5-20-13(2)16-17-15(20)12-18(3)14-7-9-19(11-14)8-6-10-21-4/h14H,5-12H2,1-4H3
InChIKeyGUHVFPDBXURKOR-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.15
Rot. Bonds8

About N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine (PubChem CID 71928250) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
PubChem CID71928250
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(CCCOC)C1
InChIInChI=1S/C15H29N5O/c1-5-20-13(2)16-17-15(20)12-18(3)14-7-9-19(11-14)8-6-10-21-4/h14H,5-12H2,1-4H3
InChIKeyGUHVFPDBXURKOR-UHFFFAOYSA-N
XLogP1.15
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(tetrahydrofuran-3-ylmethyl)methanamine
CID 50975179
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 109854666
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 109854667
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(3-ethoxypropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111916164
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(3-ethoxypropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111916165
(1R)-1-(5-ethoxy-4-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 57698940
4-Methyl-3-propan-2-yl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole
CID 90326084
3,4-Dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole
CID 90327684
3,4-Dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole;ethane
CID 144481384
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methoxypropan-1-amine
CID 43524808
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462558
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxybutan-2-amine
CID 61871907

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine (CID 71928250) is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(CCCOC)C1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine?
The InChIKey is GUHVFPDBXURKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-5-20-13(2)16-17-15(20)12-18(3)14-7-9-19(11-14)8-6-10-21-4/h14H,5-12H2,1-4H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine?
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine has a molecular weight of 295.43 g/mol, XLogP of 1.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).