carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine

C5H11N3O3 — CID 159919464

IUPACcarbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(N)N1.O=C(O)O
InChIInChI=1S/C4H9N3.CH2O3/c1-3-2-6-4(5)7-3;2-1(3)4/h3H,2H2,1H3,(H3,5,6,7);(H2,2,3,4)
InChIKeyNYFBLJMUQITZGQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.48
Rot. Bonds

About carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine

carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 159919464) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Namecarbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID159919464
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Namecarbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(N)N1.O=C(O)O
InChIInChI=1S/C4H9N3.CH2O3/c1-3-2-6-4(5)7-3;2-1(3)4/h3H,2H2,1H3,(H3,5,6,7);(H2,2,3,4)
InChIKeyNYFBLJMUQITZGQ-UHFFFAOYSA-N
XLogP-0.48
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 159919464) is carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(N)N1.O=C(O)O.
What is the InChIKey of carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is NYFBLJMUQITZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.CH2O3/c1-3-2-6-4(5)7-3;2-1(3)4/h3H,2H2,1H3,(H3,5,6,7);(H2,2,3,4).
What are the key properties of carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine?
carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 161.16 g/mol, XLogP of -0.48, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 159919464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).