N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

C13H23N5O — CID 106609199

IUPACN-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)N(CC)CC2CCCN2)n[nH]1
InChIInChI=1S/C13H23N5O/c1-3-6-11-15-12(17-16-11)13(19)18(4-2)9-10-7-5-8-14-10/h10,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyADOQDVKVDYSXTO-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.97
Rot. Bonds6

About N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106609199) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID106609199
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)N(CC)CC2CCCN2)n[nH]1
InChIInChI=1S/C13H23N5O/c1-3-6-11-15-12(17-16-11)13(19)18(4-2)9-10-7-5-8-14-10/h10,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyADOQDVKVDYSXTO-UHFFFAOYSA-N
XLogP0.97
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106599359
5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106610714
N-ethyl-N-(piperidin-2-ylmethyl)-4-propylthiadiazole-5-carboxamide
CID 106626170
5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 114793921
N-ethyl-1,3,5-trimethyl-N-(piperidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106626233
methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate
CID 107858360
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
N-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106609110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (CID 106609199) is N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)N(CC)CC2CCCN2)n[nH]1.
What is the InChIKey of N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is ADOQDVKVDYSXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-6-11-15-12(17-16-11)13(19)18(4-2)9-10-7-5-8-14-10/h10,14H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106609199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).