N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide

C6H11N5 — CID 73198464

IUPACN,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide
SMILESCN(C)C=Nc1nncn1C
InChIInChI=1S/C6H11N5/c1-10(2)4-7-6-9-8-5-11(6)3/h4-5H,1-3H3
InChIKeyDBVCUFSKPWEVFZ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.04
Rot. Bonds2

About N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide

N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide (PubChem CID 73198464) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide
PubChem CID73198464
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC NameN,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide
SMILESCN(C)C=Nc1nncn1C
InChIInChI=1S/C6H11N5/c1-10(2)4-7-6-9-8-5-11(6)3/h4-5H,1-3H3
InChIKeyDBVCUFSKPWEVFZ-UHFFFAOYSA-N
XLogP0.04
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide (CID 73198464) is N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide is CN(C)C=Nc1nncn1C.
What is the InChIKey of N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide?
The InChIKey is DBVCUFSKPWEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-10(2)4-7-6-9-8-5-11(6)3/h4-5H,1-3H3.
What are the key properties of N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide?
N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide has a molecular weight of 153.19 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4-methyl-1,2,4-triazol-3-yl)methanimidamide is sourced from PubChem (CID 73198464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).