4,6-dimethyl-1,3,5-triazin-2-amine;hydrate

C5H10N4O — CID 2782054

IUPAC4,6-dimethyl-1,3,5-triazin-2-amine;hydrate
SMILESCc1nc(C)nc(N)n1.O
InChIInChI=1S/C5H8N4.H2O/c1-3-7-4(2)9-5(6)8-3;/h1-2H3,(H2,6,7,8,9);1H2
InChIKeyCZKUOCRCKNMNTI-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.75
Rot. Bonds

About 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate

4,6-dimethyl-1,3,5-triazin-2-amine;hydrate (PubChem CID 2782054) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate.

Molecular Properties

Compound Name4,6-dimethyl-1,3,5-triazin-2-amine;hydrate
PubChem CID2782054
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name4,6-dimethyl-1,3,5-triazin-2-amine;hydrate
SMILESCc1nc(C)nc(N)n1.O
InChIInChI=1S/C5H8N4.H2O/c1-3-7-4(2)9-5(6)8-3;/h1-2H3,(H2,6,7,8,9);1H2
InChIKeyCZKUOCRCKNMNTI-UHFFFAOYSA-N
XLogP-0.75
TPSA96.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate?
The IUPAC name of 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate (CID 2782054) is 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate.
What is the SMILES notation for 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate?
The canonical SMILES for 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate is Cc1nc(C)nc(N)n1.O.
What is the InChIKey of 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate?
The InChIKey is CZKUOCRCKNMNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.H2O/c1-3-7-4(2)9-5(6)8-3;/h1-2H3,(H2,6,7,8,9);1H2.
What are the key properties of 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate?
4,6-dimethyl-1,3,5-triazin-2-amine;hydrate has a molecular weight of 142.16 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3,5-triazin-2-amine;hydrate is sourced from PubChem (CID 2782054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).