N,N-diethyl-1H-1,2,4-triazole-5-carboxamide

C7H12N4O — CID 3345983

IUPACN,N-diethyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-3-11(4-2)7(12)6-8-5-9-10-6/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyQYDINIGGCZMHIP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.29
Rot. Bonds3

About N,N-diethyl-1H-1,2,4-triazole-5-carboxamide

N,N-diethyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 3345983) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N,N-diethyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID3345983
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN,N-diethyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-3-11(4-2)7(12)6-8-5-9-10-6/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyQYDINIGGCZMHIP-UHFFFAOYSA-N
XLogP0.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-prop-2-ynyl-1H-1,2,4-triazole-5-carboxamide
CID 115283265
N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965164
2-[prop-2-ynyl(1H-1,2,4-triazole-5-carbonyl)amino]acetic acid
CID 79277668
3-methyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-one
CID 65363335
N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103824860
(1-ethylimidazol-4-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 130508831
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
CID 106628118
N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822632
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
3-methylidene-1-(1H-1,2,4-triazol-5-yl)pentan-1-one
CID 66043842
N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822634

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N,N-diethyl-1H-1,2,4-triazole-5-carboxamide (CID 3345983) is N,N-diethyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-1H-1,2,4-triazole-5-carboxamide is CCN(CC)C(=O)c1ncn[nH]1.
What is the InChIKey of N,N-diethyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QYDINIGGCZMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-11(4-2)7(12)6-8-5-9-10-6/h5H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N,N-diethyl-1H-1,2,4-triazole-5-carboxamide?
N,N-diethyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 3345983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).