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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Related Compounds

3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid
CID 137349244
5-ethyl-4,5-dihydro-1H-imidazol-2-amine
CID 70319974
(5-methyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine;hydroiodide
CID 21417143
5-(5-methyloxolan-2-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 82839276
4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969159
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902231
N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902240
3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
CID 174258294
2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide
CID 45084427
(6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one
CID 136694593
N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902289
acetic acid;4,5-dihydro-1H-imidazol-2-amine
CID 174455956

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).