5-methylidene-N-prop-1-en-2-ylimidazol-4-amine

C7H9N3 — CID 144559078

IUPAC5-methylidene-N-prop-1-en-2-ylimidazol-4-amine
SMILESC=C(C)NC1=NC=NC1=C
InChIInChI=1S/C7H9N3/c1-5(2)10-7-6(3)8-4-9-7/h4H,1,3H2,2H3,(H,8,9,10)
InChIKeyLOZSPFZOBZBICZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.06
Rot. Bonds1

About 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine

5-methylidene-N-prop-1-en-2-ylimidazol-4-amine (PubChem CID 144559078) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-methylidene-N-prop-1-en-2-ylimidazol-4-amine
PubChem CID144559078
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-methylidene-N-prop-1-en-2-ylimidazol-4-amine
SMILESC=C(C)NC1=NC=NC1=C
InChIInChI=1S/C7H9N3/c1-5(2)10-7-6(3)8-4-9-7/h4H,1,3H2,2H3,(H,8,9,10)
InChIKeyLOZSPFZOBZBICZ-UHFFFAOYSA-N
XLogP1.06
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-methylidene-1,4-dihydroimidazole
CID 58059446
2-methyl-4,5-dimethylidene-1H-imidazole
CID 59908997
(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium
CID 91232423
N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide
CID 146270867
N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide
CID 147400047
(5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine
CID 156512404
N-(1H-imidazol-1-ium-5-ylmethyl)ethanamine
CID 164099685
5-Ethenylidene-2-methyl-1,4-dihydroimidazole
CID 177709158
(5E)-5-ethylidene-2-methyl-1,4-dihydroimidazole
CID 142858780
N-ethyl-5-methylidene-1H-imidazol-4-imine
CID 145445281

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine?
The IUPAC name of 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine (CID 144559078) is 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine.
What is the SMILES notation for 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine?
The canonical SMILES for 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine is C=C(C)NC1=NC=NC1=C.
What is the InChIKey of 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine?
The InChIKey is LOZSPFZOBZBICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5(2)10-7-6(3)8-4-9-7/h4H,1,3H2,2H3,(H,8,9,10).
What are the key properties of 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine?
5-methylidene-N-prop-1-en-2-ylimidazol-4-amine has a molecular weight of 135.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-prop-1-en-2-ylimidazol-4-amine is sourced from PubChem (CID 144559078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).