2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine

C11H14Cl2N16O3 — CID 158787494

IUPAC2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine
SMILESCOc1nc(Cl)nc(Cl)n1.COc1nc(OC)nc(-n2nnnc2N)n1.Nc1nn[nH]n1
InChIInChI=1S/C6H8N8O2.C4H3Cl2N3O.CH3N5/c1-15-5-8-4(9-6(10-5)16-2)14-3(7)11-12-13-14;1-10-4-8-2(5)7-3(6)9-4;2-1-3-5-6-4-1/h1-2H3,(H2,7,11,13);1H3;(H3,2,3,4,5,6)
InChIKeyIRWFDGFVOJJXBB-UHFFFAOYSA-N
MW489.25 g/mol
LogP-1.58
Rot. Bonds4

About 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine

2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine (PubChem CID 158787494) has the molecular formula C11H14Cl2N16O3 and a molecular weight of 489.25 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine.

Molecular Properties

Compound Name2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine
PubChem CID158787494
Molecular FormulaC11H14Cl2N16O3
Molecular Weight489.25 g/mol
Exact Mass488.08
IUPAC Name2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine
SMILESCOc1nc(Cl)nc(Cl)n1.COc1nc(OC)nc(-n2nnnc2N)n1.Nc1nn[nH]n1
InChIInChI=1S/C6H8N8O2.C4H3Cl2N3O.CH3N5/c1-15-5-8-4(9-6(10-5)16-2)14-3(7)11-12-13-14;1-10-4-8-2(5)7-3(6)9-4;2-1-3-5-6-4-1/h1-2H3,(H2,7,11,13);1H3;(H3,2,3,4,5,6)
InChIKeyIRWFDGFVOJJXBB-UHFFFAOYSA-N
XLogP-1.58
TPSA255.13 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.25
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine?
The IUPAC name of 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine (CID 158787494) is 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine.
What is the SMILES notation for 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine?
The canonical SMILES for 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine is COc1nc(Cl)nc(Cl)n1.COc1nc(OC)nc(-n2nnnc2N)n1.Nc1nn[nH]n1.
What is the InChIKey of 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine?
The InChIKey is IRWFDGFVOJJXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8O2.C4H3Cl2N3O.CH3N5/c1-15-5-8-4(9-6(10-5)16-2)14-3(7)11-12-13-14;1-10-4-8-2(5)7-3(6)9-4;2-1-3-5-6-4-1/h1-2H3,(H2,7,11,13);1H3;(H3,2,3,4,5,6).
What are the key properties of 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine?
2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine has a molecular weight of 489.25 g/mol, XLogP of -1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine is sourced from PubChem (CID 158787494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).