N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide

C12H21N5O — CID 64518648

IUPACN-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ncn[nH]2)CCNC1
InChIInChI=1S/C12H21N5O/c1-3-4-12(5-6-13-8-12)11(18)17(2)7-10-14-9-15-16-10/h9,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyVZPVROXCAPLWQZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.54
Rot. Bonds5

About N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 64518648) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID64518648
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ncn[nH]2)CCNC1
InChIInChI=1S/C12H21N5O/c1-3-4-12(5-6-13-8-12)11(18)17(2)7-10-14-9-15-16-10/h9,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyVZPVROXCAPLWQZ-UHFFFAOYSA-N
XLogP0.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 64516909
N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143991
N-methyl-3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 63130322
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
CID 63143463
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63866435
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 102611950
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 64517088

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 64518648) is N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)N(C)Cc2ncn[nH]2)CCNC1.
What is the InChIKey of N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is VZPVROXCAPLWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-4-12(5-6-13-8-12)11(18)17(2)7-10-14-9-15-16-10/h9,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64518648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).