azane;4,5-dihydroimidazole-1-carboxylic acid

C4H9N3O2 — CID 172811779

IUPACazane;4,5-dihydroimidazole-1-carboxylic acid
SMILESN.O=C(O)N1C=NCC1
InChIInChI=1S/C4H6N2O2.H3N/c7-4(8)6-2-1-5-3-6;/h3H,1-2H2,(H,7,8);1H3
InChIKeySGSRIMNWJWGKDY-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.17
Rot. Bonds

About azane;4,5-dihydroimidazole-1-carboxylic acid

azane;4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 172811779) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is azane;4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Nameazane;4,5-dihydroimidazole-1-carboxylic acid
PubChem CID172811779
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Nameazane;4,5-dihydroimidazole-1-carboxylic acid
SMILESN.O=C(O)N1C=NCC1
InChIInChI=1S/C4H6N2O2.H3N/c7-4(8)6-2-1-5-3-6;/h3H,1-2H2,(H,7,8);1H3
InChIKeySGSRIMNWJWGKDY-UHFFFAOYSA-N
XLogP0.17
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazoline carboxylic acid
CID 20554061
2-Amino-4,5-dihydroimidazole-1-carboxylic acid
CID 68725724
4,5-Dihydroimidazol-3-ium-1-carboxylic acid
CID 54272276
4,5-Dihydroimidazol-1-ium-1,1-dicarboxylic acid
CID 57283413
1-Carboxy-4,5-dihydroimidazol-1-ium-1-carboxylate
CID 67189611
Carbonic acid;1-methyl-4,5-dihydroimidazole
CID 67635471
4,5-Dihydroimidazole-1-carboxamide;hydrate
CID 141225004
Sodium 4,5-dihydroimidazole-1-carboxylate
CID 141402498
Methyl 4,5-dihydroimidazole-1-carboxylate
CID 153737435
1,3-Dimethyl-4,5-dihydroimidazol-1-ium;hydrogen carbonate
CID 166679901
1-Methyl-4,5-dihydroimidazol-1-ium-1-carboxylate
CID 172788679
4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid
CID 172863276

Frequently Asked Questions

What is the IUPAC name of azane;4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of azane;4,5-dihydroimidazole-1-carboxylic acid (CID 172811779) is azane;4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for azane;4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for azane;4,5-dihydroimidazole-1-carboxylic acid is N.O=C(O)N1C=NCC1.
What is the InChIKey of azane;4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is SGSRIMNWJWGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.H3N/c7-4(8)6-2-1-5-3-6;/h3H,1-2H2,(H,7,8);1H3.
What are the key properties of azane;4,5-dihydroimidazole-1-carboxylic acid?
azane;4,5-dihydroimidazole-1-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 172811779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).