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

C7H13N5 — CID 135965164

IUPACN,N-diethyl-1H-1,2,4-triazole-5-carboximidamide
SMILES[H]/N=C(/c1ncn[nH]1)N(CC)CC
InChIInChI=1S/C7H13N5/c1-3-12(4-2)6(8)7-9-5-10-11-7/h5,8H,3-4H2,1-2H3,(H,9,10,11)/b8-6-
InChIKeyRQZJPUYYCSXKKE-VURMDHGXSA-N
MW167.22 g/mol
LogP0.47
Rot. Bonds3

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

N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide (PubChem CID 135965164) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-1H-1,2,4-triazole-5-carboximidamide
PubChem CID135965164
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN,N-diethyl-1H-1,2,4-triazole-5-carboximidamide
SMILES[H]/N=C(/c1ncn[nH]1)N(CC)CC
InChIInChI=1S/C7H13N5/c1-3-12(4-2)6(8)7-9-5-10-11-7/h5,8H,3-4H2,1-2H3,(H,9,10,11)/b8-6-
InChIKeyRQZJPUYYCSXKKE-VURMDHGXSA-N
XLogP0.47
TPSA68.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1H-1,2,4-triazole-5-carboxamide
CID 3345983
3-methyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-one
CID 65363335
(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine
CID 135965162
piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine
CID 135965159
3-methyl-1-(1H-1,2,4-triazol-5-yl)but-3-en-1-one
CID 79177579
N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
N-propyl-N-prop-2-ynyl-1H-1,2,4-triazole-5-carboxamide
CID 115283265
4-bromo-N,N-diethyl-3,5-dimethylbenzenecarboximidamide
CID 114331154
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103824860
N,N-diethyl-3-hydroxybenzenecarboximidamide
CID 107922201
3-methylidene-1-(1H-1,2,4-triazol-5-yl)pentan-1-one
CID 66043842

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide?
The IUPAC name of N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide (CID 135965164) is N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide.
What is the SMILES notation for N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide?
The canonical SMILES for N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide is [H]/N=C(/c1ncn[nH]1)N(CC)CC.
What is the InChIKey of N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide?
The InChIKey is RQZJPUYYCSXKKE-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-12(4-2)6(8)7-9-5-10-11-7/h5,8H,3-4H2,1-2H3,(H,9,10,11)/b8-6-.
What are the key properties of N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide?
N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide has a molecular weight of 167.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 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-carboximidamide is sourced from PubChem (CID 135965164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).