N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide

C7H9N7O — CID 557765

IUPACN,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide
SMILESCN(C)/C=N/c1nonc1-c1ncn[nH]1
InChIInChI=1S/C7H9N7O/c1-14(2)4-9-7-5(12-15-13-7)6-8-3-10-11-6/h3-4H,1-2H3,(H,8,10,11)/b9-4+
InChIKeyRHPKWZOVIHXBMC-RUDMXATFSA-N
MW207.20 g/mol
LogP0.08
Rot. Bonds3

About N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide

N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide (PubChem CID 557765) has the molecular formula C7H9N7O and a molecular weight of 207.20 g/mol. Its IUPAC name is N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide
PubChem CID557765
Molecular FormulaC7H9N7O
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC NameN,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide
SMILESCN(C)/C=N/c1nonc1-c1ncn[nH]1
InChIInChI=1S/C7H9N7O/c1-14(2)4-9-7-5(12-15-13-7)6-8-3-10-11-6/h3-4H,1-2H3,(H,8,10,11)/b9-4+
InChIKeyRHPKWZOVIHXBMC-RUDMXATFSA-N
XLogP0.08
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methyl-5-nitroimidazol-4-yl)-1H-1,2,4-triazol-3-amine
CID 171358723
4-(1h-1,2,4-Triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 565277
3-Amino-4-(5-amino-1h-1,2,4-triazol-3-yl)-1,2,5-oxadiazole
CID 12007475
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
1-Methyl-4-(1H-1,2,4-triazol-5-yl)-1H-imidazol-5-amine
CID 71364813
Water 3-amino-4-(1,2,4-triazol-3-yl)furazan
CID 129748083
(1,2,4-Triazol-3-yl)furazan
CID 129873290
4-(5-Amino-4h-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine hydrochloride
CID 139599831
4-(1-methyl-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 58778276
4-(3-ethyl-1-methyl-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62805912
4-(1-methyl-3-propyl-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62805913
4-(3-Isopropyl-1-methyl-1h-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62805914

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide (CID 557765) is N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide is CN(C)/C=N/c1nonc1-c1ncn[nH]1.
What is the InChIKey of N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide?
The InChIKey is RHPKWZOVIHXBMC-RUDMXATFSA-N. The full InChI is InChI=1S/C7H9N7O/c1-14(2)4-9-7-5(12-15-13-7)6-8-3-10-11-6/h3-4H,1-2H3,(H,8,10,11)/b9-4+.
What are the key properties of N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide?
N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide has a molecular weight of 207.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-yl]methanimidamide is sourced from PubChem (CID 557765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).