4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine

C11H16N6 — CID 106569972

IUPAC4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCc1nncn1C
InChIInChI=1S/C11H16N6/c1-4-5-17-7-9(2)14-11(17)12-6-10-15-13-8-16(10)3/h4,7-8H,1,5-6H2,2-3H3,(H,12,14)
InChIKeyUUSNERAGUHOUOT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.12
Rot. Bonds5

About 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine

4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine (PubChem CID 106569972) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine
PubChem CID106569972
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCc1nncn1C
InChIInChI=1S/C11H16N6/c1-4-5-17-7-9(2)14-11(17)12-6-10-15-13-8-16(10)3/h4,7-8H,1,5-6H2,2-3H3,(H,12,14)
InChIKeyUUSNERAGUHOUOT-UHFFFAOYSA-N
XLogP1.12
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine
CID 106568790
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106575425
4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571379
4-methyl-1-prop-2-enyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576478
N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
CID 106570425
N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569292
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106567076
4,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 65169645
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
2-ethyl-4-methyl-1-prop-2-enylimidazole
CID 19066610
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine (CID 106569972) is 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NCc1nncn1C.
What is the InChIKey of 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine?
The InChIKey is UUSNERAGUHOUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-4-5-17-7-9(2)14-11(17)12-6-10-15-13-8-16(10)3/h4,7-8H,1,5-6H2,2-3H3,(H,12,14).
What are the key properties of 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine?
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106569972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).