2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol

C10H20N4O2 — CID 91320946

IUPAC2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol
SMILESCCC(C)C1N=C(N)NC12NCCC2(O)O
InChIInChI=1S/C10H20N4O2/c1-3-6(2)7-10(14-8(11)13-7)9(15,16)4-5-12-10/h6-7,12,15-16H,3-5H2,1-2H3,(H3,11,13,14)
InChIKeyAIABVHDPVZDALV-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.31
Rot. Bonds2

About 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol

2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol (PubChem CID 91320946) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol.

Molecular Properties

Compound Name2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol
PubChem CID91320946
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol
SMILESCCC(C)C1N=C(N)NC12NCCC2(O)O
InChIInChI=1S/C10H20N4O2/c1-3-6(2)7-10(14-8(11)13-7)9(15,16)4-5-12-10/h6-7,12,15-16H,3-5H2,1-2H3,(H3,11,13,14)
InChIKeyAIABVHDPVZDALV-UHFFFAOYSA-N
XLogP-1.31
TPSA102.90 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 89347239
2-butan-2-yl-1-ethylcyclohexan-1-ol
CID 154099705
(3aS,4R,10aS)-2,6-diamino-5-hydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-7-ium-10,10-diol
CID 136846911
5-pentan-2-yl-4,5-dihydro-1H-imidazol-2-amine
CID 79510805
(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol
CID 117012200
1-[[(4S,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl]pyrrolidine-2,5-dione
CID 166717343
1-[[(4S,10aR)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl]pyrrolidine-2,5-dione
CID 146530662
2-ethyl-2,4-dimethyl-4-propan-2-ylpiperidine
CID 91360391
3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64883688
(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-3,5,6,7,8,8a-hexahydropteridin-4-one
CID 171124029
3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 114510267
3-butan-2-yl-1-[(1-propan-2-ylcyclopropyl)methyl]piperazine
CID 114114104

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol?
The IUPAC name of 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol (CID 91320946) is 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol.
What is the SMILES notation for 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol?
The canonical SMILES for 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol is CCC(C)C1N=C(N)NC12NCCC2(O)O.
What is the InChIKey of 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol?
The InChIKey is AIABVHDPVZDALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-6(2)7-10(14-8(11)13-7)9(15,16)4-5-12-10/h6-7,12,15-16H,3-5H2,1-2H3,(H3,11,13,14).
What are the key properties of 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol?
2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol has a molecular weight of 228.30 g/mol, XLogP of -1.31, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butan-2-yl-1,3,6-triazaspiro[4.4]non-2-ene-9,9-diol is sourced from PubChem (CID 91320946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).