N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide

C13H21N5O — CID 128603890

IUPACN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CN(C3CC3)CC2C)n(C)n1
InChIInChI=1S/C13H21N5O/c1-8-6-18(10-4-5-10)7-11(8)15-13(19)12-14-9(2)16-17(12)3/h8,10-11H,4-7H2,1-3H3,(H,15,19)
InChIKeySREHRXDJNKQODU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.34
Rot. Bonds3

About N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide

N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 128603890) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID128603890
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CN(C3CC3)CC2C)n(C)n1
InChIInChI=1S/C13H21N5O/c1-8-6-18(10-4-5-10)7-11(8)15-13(19)12-14-9(2)16-17(12)3/h8,10-11H,4-7H2,1-3H3,(H,15,19)
InChIKeySREHRXDJNKQODU-UHFFFAOYSA-N
XLogP0.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylbutanamide
CID 53521520
N-(2-acetamidoethyl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53565306
N-(2-cyanoethyl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53571520
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 53588470
1-(cyclopropylmethyl)-3-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]urea
CID 72020819
1-Pyrrolidin-1-ylmethyl-1H-[1,2,4]triazole-3-carboxylic acid tert-butylamide
CID 4667758
N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 73994627
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91762528
(5S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 97880164
1-tert-butyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 128471373
5-cyclopropyl-2-methyl-N-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazole-3-carboxamide
CID 129507962
2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 175395403

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 128603890) is N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NC2CN(C3CC3)CC2C)n(C)n1.
What is the InChIKey of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is SREHRXDJNKQODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8-6-18(10-4-5-10)7-11(8)15-13(19)12-14-9(2)16-17(12)3/h8,10-11H,4-7H2,1-3H3,(H,15,19).
What are the key properties of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 128603890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).