(1,3-dimethylimidazol-2-ylidene)cyanamide

C6H8N4 — CID 18340105

IUPAC(1,3-dimethylimidazol-2-ylidene)cyanamide
SMILESCn1ccn(C)c1=NC#N
InChIInChI=1S/C6H8N4/c1-9-3-4-10(2)6(9)8-5-7/h3-4H,1-2H3
InChIKeyDTRISYDUXQALRV-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.25
Rot. Bonds

About (1,3-dimethylimidazol-2-ylidene)cyanamide

(1,3-dimethylimidazol-2-ylidene)cyanamide (PubChem CID 18340105) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is (1,3-dimethylimidazol-2-ylidene)cyanamide.

Molecular Properties

Compound Name(1,3-dimethylimidazol-2-ylidene)cyanamide
PubChem CID18340105
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name(1,3-dimethylimidazol-2-ylidene)cyanamide
SMILESCn1ccn(C)c1=NC#N
InChIInChI=1S/C6H8N4/c1-9-3-4-10(2)6(9)8-5-7/h3-4H,1-2H3
InChIKeyDTRISYDUXQALRV-UHFFFAOYSA-N
XLogP-0.25
TPSA46.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylimidazol-2-ylidene)cyanamide?
The IUPAC name of (1,3-dimethylimidazol-2-ylidene)cyanamide (CID 18340105) is (1,3-dimethylimidazol-2-ylidene)cyanamide.
What is the SMILES notation for (1,3-dimethylimidazol-2-ylidene)cyanamide?
The canonical SMILES for (1,3-dimethylimidazol-2-ylidene)cyanamide is Cn1ccn(C)c1=NC#N.
What is the InChIKey of (1,3-dimethylimidazol-2-ylidene)cyanamide?
The InChIKey is DTRISYDUXQALRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-9-3-4-10(2)6(9)8-5-7/h3-4H,1-2H3.
What are the key properties of (1,3-dimethylimidazol-2-ylidene)cyanamide?
(1,3-dimethylimidazol-2-ylidene)cyanamide has a molecular weight of 136.16 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylimidazol-2-ylidene)cyanamide is sourced from PubChem (CID 18340105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).