[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene

C10H18N6O2 — CID 70011413

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.Nc1nc(N)nc(NCO)n1
InChIInChI=1S/C6H10O.C4H8N6O/c1-3-5-7-6-4-2;5-2-8-3(6)10-4(9-2)7-1-11/h3-4H,1-2,5-6H2;11H,1H2,(H5,5,6,7,8,9,10)
InChIKeyCYIFYEOELMIOAS-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.23
Rot. Bonds6

About [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene

[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene (PubChem CID 70011413) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene
PubChem CID70011413
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.Nc1nc(N)nc(NCO)n1
InChIInChI=1S/C6H10O.C4H8N6O/c1-3-5-7-6-4-2;5-2-8-3(6)10-4(9-2)7-1-11/h3-4H,1-2,5-6H2;11H,1H2,(H5,5,6,7,8,9,10)
InChIKeyCYIFYEOELMIOAS-UHFFFAOYSA-N
XLogP-0.23
TPSA132.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 67920323
CID 67920324
CID 67920324
CID 68148784
CID 68148784
CID 70363132
CID 70363132
CID 141233830
CID 141233830
CID 80868204
CID 80868204
CID 80868455
CID 80868455
CID 80868459
CID 80868459
CID 80868539
CID 80868539
CID 80872378
CID 80872378

Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene (CID 70011413) is [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.Nc1nc(N)nc(NCO)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene?
The InChIKey is CYIFYEOELMIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H8N6O/c1-3-5-7-6-4-2;5-2-8-3(6)10-4(9-2)7-1-11/h3-4H,1-2,5-6H2;11H,1H2,(H5,5,6,7,8,9,10).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene?
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;3-prop-2-enoxyprop-1-ene has a molecular weight of 254.29 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 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)amino]methanol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 70011413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).