N,1,2-trimethyl-4H-imidazol-5-imine

C6H11N3 — CID 21131857

IUPACN,1,2-trimethyl-4H-imidazol-5-imine
SMILESC/N=C1\CN=C(C)N1C
InChIInChI=1S/C6H11N3/c1-5-8-4-6(7-2)9(5)3/h4H2,1-3H3/b7-6+
InChIKeyRZTGBSFBBNUGCB-VOTSOKGWSA-N
MW125.17 g/mol
LogP0.38
Rot. Bonds

About N,1,2-trimethyl-4H-imidazol-5-imine

N,1,2-trimethyl-4H-imidazol-5-imine (PubChem CID 21131857) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N,1,2-trimethyl-4H-imidazol-5-imine.

Molecular Properties

Compound NameN,1,2-trimethyl-4H-imidazol-5-imine
PubChem CID21131857
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN,1,2-trimethyl-4H-imidazol-5-imine
SMILESC/N=C1\CN=C(C)N1C
InChIInChI=1S/C6H11N3/c1-5-8-4-6(7-2)9(5)3/h4H2,1-3H3/b7-6+
InChIKeyRZTGBSFBBNUGCB-VOTSOKGWSA-N
XLogP0.38
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-4H-imidazol-5-imine?
The IUPAC name of N,1,2-trimethyl-4H-imidazol-5-imine (CID 21131857) is N,1,2-trimethyl-4H-imidazol-5-imine.
What is the SMILES notation for N,1,2-trimethyl-4H-imidazol-5-imine?
The canonical SMILES for N,1,2-trimethyl-4H-imidazol-5-imine is C/N=C1\CN=C(C)N1C.
What is the InChIKey of N,1,2-trimethyl-4H-imidazol-5-imine?
The InChIKey is RZTGBSFBBNUGCB-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11N3/c1-5-8-4-6(7-2)9(5)3/h4H2,1-3H3/b7-6+.
What are the key properties of N,1,2-trimethyl-4H-imidazol-5-imine?
N,1,2-trimethyl-4H-imidazol-5-imine has a molecular weight of 125.17 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-4H-imidazol-5-imine is sourced from PubChem (CID 21131857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).