[(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol

C7H14N6O2 — CID 18961466

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol
SMILESCCCON(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O2/c1-2-3-15-13(4-14)7-11-5(8)10-6(9)12-7/h14H,2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyALYLIJXBXBOTNS-UHFFFAOYSA-N
MW214.23 g/mol
LogP-0.87
Rot. Bonds5

About [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol

[(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol (PubChem CID 18961466) has the molecular formula C7H14N6O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol
PubChem CID18961466
Molecular FormulaC7H14N6O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol
SMILESCCCON(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O2/c1-2-3-15-13(4-14)7-11-5(8)10-6(9)12-7/h14H,2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyALYLIJXBXBOTNS-UHFFFAOYSA-N
XLogP-0.87
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226433
2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695053
[[4-Amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
CID 18944679
[(4,6-Diamino-1,3,5-triazin-2-yl)-ethoxyamino]methanol
CID 18961483
2-N-butoxy-1,3,5-triazine-2,4,6-triamine
CID 19364611
[[4-Amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
CID 19767297
2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19877060
2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19960736
4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]oxybutan-1-ol
CID 20088357
Ethanol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20485953
[(4,6-Diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol
CID 21195075
[Butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
CID 21195076

Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol (CID 18961466) is [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol is CCCON(CO)c1nc(N)nc(N)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol?
The InChIKey is ALYLIJXBXBOTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O2/c1-2-3-15-13(4-14)7-11-5(8)10-6(9)12-7/h14H,2-4H2,1H3,(H4,8,9,10,11,12).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol?
[(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol has a molecular weight of 214.23 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol is sourced from PubChem (CID 18961466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).