3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine

C6H12N6O — CID 23368067

IUPAC3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine
SMILESCCCN=c1nc(N)n(O)c(N)n1
InChIInChI=1S/C6H12N6O/c1-2-3-9-6-10-4(7)12(13)5(8)11-6/h13H,2-3H2,1H3,(H4,7,8,9,10,11)
InChIKeyQWSILVAKQPATTR-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.01
Rot. Bonds2

About 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine

3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine (PubChem CID 23368067) has the molecular formula C6H12N6O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine
PubChem CID23368067
Molecular FormulaC6H12N6O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine
SMILESCCCN=c1nc(N)n(O)c(N)n1
InChIInChI=1S/C6H12N6O/c1-2-3-9-6-10-4(7)12(13)5(8)11-6/h13H,2-3H2,1H3,(H4,7,8,9,10,11)
InChIKeyQWSILVAKQPATTR-UHFFFAOYSA-N
XLogP-1.01
TPSA115.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine?
The IUPAC name of 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine (CID 23368067) is 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine is CCCN=c1nc(N)n(O)c(N)n1.
What is the InChIKey of 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine?
The InChIKey is QWSILVAKQPATTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O/c1-2-3-9-6-10-4(7)12(13)5(8)11-6/h13H,2-3H2,1H3,(H4,7,8,9,10,11).
What are the key properties of 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine?
3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine has a molecular weight of 184.20 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23368067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).