N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide

C13H23N5O — CID 106975311

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2n[nH]c(C)n2)CCCN1
InChIInChI=1S/C13H23N5O/c1-4-6-13(7-5-8-14-13)12(19)18(3)9-11-15-10(2)16-17-11/h14H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyZFMPIZJTFZIVBJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.99
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975311) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106975311
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2n[nH]c(C)n2)CCCN1
InChIInChI=1S/C13H23N5O/c1-4-6-13(7-5-8-14-13)12(19)18(3)9-11-15-10(2)16-17-11/h14H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyZFMPIZJTFZIVBJ-UHFFFAOYSA-N
XLogP0.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 64517088
1-carbamothioyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxamide
CID 64519814
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974560
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
N-methyl-N-[2-(methylamino)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975276
N-methyl-N-(4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975073
N-methyl-N-(3-methylcyclohexyl)-2-propylpyrrolidine-2-carboxamide
CID 106974976
N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 65241314
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975714
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide (CID 106975311) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)N(C)Cc2n[nH]c(C)n2)CCCN1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is ZFMPIZJTFZIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-6-13(7-5-8-14-13)12(19)18(3)9-11-15-10(2)16-17-11/h14H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).