N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide

C9H15N5O — CID 103912454

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1ncn[nH]1
InChIInChI=1S/C9H15N5O/c1-7(8-10-6-11-13-8)12-9(15)14-4-2-3-5-14/h6-7H,2-5H2,1H3,(H,12,15)(H,10,11,13)
InChIKeyCLDHLBBRWCRBDR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.67
Rot. Bonds2

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 103912454) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID103912454
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1ncn[nH]1
InChIInChI=1S/C9H15N5O/c1-7(8-10-6-11-13-8)12-9(15)14-4-2-3-5-14/h6-7H,2-5H2,1H3,(H,12,15)(H,10,11,13)
InChIKeyCLDHLBBRWCRBDR-UHFFFAOYSA-N
XLogP0.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106283395
3-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-3-yl]propanoic acid
CID 106283258
2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 106283441
3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106283225
1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide
CID 103716377
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-ynamide
CID 103846656
3,3-dimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106283369
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 130162767
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 113345805
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 103722966

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide (CID 103912454) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is CLDHLBBRWCRBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-7(8-10-6-11-13-8)12-9(15)14-4-2-3-5-14/h6-7H,2-5H2,1H3,(H,12,15)(H,10,11,13).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 103912454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).