6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid

C4H10N5O3P — CID 19842415

IUPAC6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid
SMILESCc1nc(N)nc(N)n1.OP(O)O
InChIInChI=1S/C4H7N5.H3O3P/c1-2-7-3(5)9-4(6)8-2;1-4(2)3/h1H3,(H4,5,6,7,8,9);1-3H
InChIKeyDBPBOPXUQPOIJM-UHFFFAOYSA-N
MW207.13 g/mol
LogP-1.47
Rot. Bonds

About 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid

6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid (PubChem CID 19842415) has the molecular formula C4H10N5O3P and a molecular weight of 207.13 g/mol. Its IUPAC name is 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid.

Molecular Properties

Compound Name6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid
PubChem CID19842415
Molecular FormulaC4H10N5O3P
Molecular Weight207.13 g/mol
Exact Mass207.05
IUPAC Name6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid
SMILESCc1nc(N)nc(N)n1.OP(O)O
InChIInChI=1S/C4H7N5.H3O3P/c1-2-7-3(5)9-4(6)8-2;1-4(2)3/h1H3,(H4,5,6,7,8,9);1-3H
InChIKeyDBPBOPXUQPOIJM-UHFFFAOYSA-N
XLogP-1.47
TPSA151.40 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid?
The IUPAC name of 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid (CID 19842415) is 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid.
What is the SMILES notation for 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid?
The canonical SMILES for 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid is Cc1nc(N)nc(N)n1.OP(O)O.
What is the InChIKey of 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid?
The InChIKey is DBPBOPXUQPOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5.H3O3P/c1-2-7-3(5)9-4(6)8-2;1-4(2)3/h1H3,(H4,5,6,7,8,9);1-3H.
What are the key properties of 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid?
6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid has a molecular weight of 207.13 g/mol, XLogP of -1.47, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,5-triazine-2,4-diamine;phosphorous acid is sourced from PubChem (CID 19842415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).