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

C7H12N6O — CID 174443913

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol
SMILESC=CCN(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C7H12N6O/c1-2-3-13(4-14)7-11-5(8)10-6(9)12-7/h2,14H,1,3-4H2,(H4,8,9,10,11,12)
InChIKeyGWMVOEMCALYOGV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.02
Rot. Bonds4

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

[(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol (PubChem CID 174443913) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol
PubChem CID174443913
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol
SMILESC=CCN(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C7H12N6O/c1-2-3-13(4-14)7-11-5(8)10-6(9)12-7/h2,14H,1,3-4H2,(H4,8,9,10,11,12)
InChIKeyGWMVOEMCALYOGV-UHFFFAOYSA-N
XLogP-1.02
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol (CID 174443913) is [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol is C=CCN(CO)c1nc(N)nc(N)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol?
The InChIKey is GWMVOEMCALYOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c1-2-3-13(4-14)7-11-5(8)10-6(9)12-7/h2,14H,1,3-4H2,(H4,8,9,10,11,12).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol?
[(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol has a molecular weight of 196.21 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol is sourced from PubChem (CID 174443913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).