[[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol

C9H18N6O3 — CID 18944679

IUPAC[[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
SMILESCCCCON(CO)c1nc(N)nc(NOC)n1
InChIInChI=1S/C9H18N6O3/c1-3-4-5-18-15(6-16)9-12-7(10)11-8(13-9)14-17-2/h16H,3-6H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyVHISOCVUXFHFIP-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.09
Rot. Bonds8

About [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol

[[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol (PubChem CID 18944679) has the molecular formula C9H18N6O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol.

Molecular Properties

Compound Name[[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
PubChem CID18944679
Molecular FormulaC9H18N6O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name[[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
SMILESCCCCON(CO)c1nc(N)nc(NOC)n1
InChIInChI=1S/C9H18N6O3/c1-3-4-5-18-15(6-16)9-12-7(10)11-8(13-9)14-17-2/h16H,3-6H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyVHISOCVUXFHFIP-UHFFFAOYSA-N
XLogP-0.09
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 17865452
2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695052
2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695053
2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695062
[(4,6-Diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol
CID 18961466
[(4,6-Diamino-1,3,5-triazin-2-yl)-ethoxyamino]methanol
CID 18961483
1-Butoxybutane;[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
CID 19020904
Butan-1-ol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 19765948
Butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
CID 19765949
Tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine
CID 19767295
[[4-(Dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
CID 19805211
2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19877060

Frequently Asked Questions

What is the IUPAC name of [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol?
The IUPAC name of [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol (CID 18944679) is [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol.
What is the SMILES notation for [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol?
The canonical SMILES for [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol is CCCCON(CO)c1nc(N)nc(NOC)n1.
What is the InChIKey of [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol?
The InChIKey is VHISOCVUXFHFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3/c1-3-4-5-18-15(6-16)9-12-7(10)11-8(13-9)14-17-2/h16H,3-6H2,1-2H3,(H3,10,11,12,13,14).
What are the key properties of [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol?
[[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol has a molecular weight of 258.28 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol is sourced from PubChem (CID 18944679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).