7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C9H16N8 — CID 11107347

IUPAC7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCN(C)CCCNc1nc(N)nc2ncnn12
InChIInChI=1S/C9H16N8/c1-16(2)5-3-4-11-8-14-7(10)15-9-12-6-13-17(8)9/h6H,3-5H2,1-2H3,(H3,10,11,12,13,14,15)
InChIKeyMINGMMLQANZBMV-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.53
Rot. Bonds5

About 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 11107347) has the molecular formula C9H16N8 and a molecular weight of 236.28 g/mol. Its IUPAC name is 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID11107347
Molecular FormulaC9H16N8
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCN(C)CCCNc1nc(N)nc2ncnn12
InChIInChI=1S/C9H16N8/c1-16(2)5-3-4-11-8-14-7(10)15-9-12-6-13-17(8)9/h6H,3-5H2,1-2H3,(H3,10,11,12,13,14,15)
InChIKeyMINGMMLQANZBMV-UHFFFAOYSA-N
XLogP-0.53
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 11107347) is 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is CN(C)CCCNc1nc(N)nc2ncnn12.
What is the InChIKey of 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is MINGMMLQANZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N8/c1-16(2)5-3-4-11-8-14-7(10)15-9-12-6-13-17(8)9/h6H,3-5H2,1-2H3,(H3,10,11,12,13,14,15).
What are the key properties of 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 236.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 11107347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).