4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine

C7H13N5O2 — CID 22501480

IUPAC4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(OCCCC)nc(N)n1O
InChIInChI=1S/C7H13N5O2/c1-2-3-4-14-7-10-5(8)12(13)6(9)11-7/h13H,2-4H2,1H3,(H3,8,9,10,11)
InChIKeyQAVOCILYFZJCAH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.24
Rot. Bonds4

About 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine

4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine (PubChem CID 22501480) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine
PubChem CID22501480
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(OCCCC)nc(N)n1O
InChIInChI=1S/C7H13N5O2/c1-2-3-4-14-7-10-5(8)12(13)6(9)11-7/h13H,2-4H2,1H3,(H3,8,9,10,11)
InChIKeyQAVOCILYFZJCAH-UHFFFAOYSA-N
XLogP-0.24
TPSA110.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine
CID 15734631
4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine
CID 18421241
4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766004
6-amino-4-butoxy-1,3,5-thiadiazine-2-thione
CID 15681566
5-heptoxy-3-iminoisoindol-1-amine
CID 139672262
2-octoxypyrimidin-5-amine
CID 61145971
2-butoxy-4,6-dichloro-5-methylpyrimidine
CID 118940482
4-chloro-6-hexoxy-1,3,5-triazin-2-amine
CID 80861147
2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine
CID 174341845
2-butoxy-7H-purin-9-ium-6-amine
CID 123806555
4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766002
1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
CID 18765981

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The IUPAC name of 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine (CID 22501480) is 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine is [H]/N=c1\nc(OCCCC)nc(N)n1O.
What is the InChIKey of 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The InChIKey is QAVOCILYFZJCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-2-3-4-14-7-10-5(8)12(13)6(9)11-7/h13H,2-4H2,1H3,(H3,8,9,10,11).
What are the key properties of 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine has a molecular weight of 199.21 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine is sourced from PubChem (CID 22501480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).