N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C14H17N5O2 — CID 21212418

IUPACN-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C14H17N5O2/c1-3-19(4-2)14(21)10-5-7-11(8-6-10)17-13(20)12-15-9-16-18-12/h5-9H,3-4H2,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyPWZCVEDQEOAMPD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.54
Rot. Bonds5

About N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 21212418) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID21212418
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C14H17N5O2/c1-3-19(4-2)14(21)10-5-7-11(8-6-10)17-13(20)12-15-9-16-18-12/h5-9H,3-4H2,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyPWZCVEDQEOAMPD-UHFFFAOYSA-N
XLogP1.54
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 21212418) is N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is PWZCVEDQEOAMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-19(4-2)14(21)10-5-7-11(8-6-10)17-13(20)12-15-9-16-18-12/h5-9H,3-4H2,1-2H3,(H,17,20)(H,15,16,18).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 21212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).