N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C10H17N5O — CID 136519378

IUPACN,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1c1nncn1C
InChIInChI=1S/C10H17N5O/c1-13(2)10(16)15-6-4-5-8(15)9-12-11-7-14(9)3/h7-8H,4-6H2,1-3H3
InChIKeyZVDFDXXMGDNCEX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds1

About N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 136519378) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID136519378
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1c1nncn1C
InChIInChI=1S/C10H17N5O/c1-13(2)10(16)15-6-4-5-8(15)9-12-11-7-14(9)3/h7-8H,4-6H2,1-3H3
InChIKeyZVDFDXXMGDNCEX-UHFFFAOYSA-N
XLogP0.63
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 120993835
(2S)-N-[(2S)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735946
(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735945
N-(3-ethynylphenyl)-2-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoacetamide
CID 99612659
N-(3-ethynylphenyl)-2-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoacetamide
CID 99612660
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 75396704
5-(4-methoxyphenyl)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pentan-1-one
CID 97252776
2-[(2R)-3-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one
CID 155954386
(2R)-N-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252732
(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124886177
N-[2-(2,3-difluorophenyl)ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 146085568
4-chloro-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 71905447

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 136519378) is N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is CN(C)C(=O)N1CCCC1c1nncn1C.
What is the InChIKey of N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is ZVDFDXXMGDNCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-13(2)10(16)15-6-4-5-8(15)9-12-11-7-14(9)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136519378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).