1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol

C10H21N7O — CID 80915923

IUPAC1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C10H21N7O/c1-5-10(2,18)6-12-7-13-8(16-11)15-9(14-7)17(3)4/h18H,5-6,11H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyHPBMZBWXHWQALP-UHFFFAOYSA-N
MW255.33 g/mol
LogP-0.20
Rot. Bonds6

About 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol

1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol (PubChem CID 80915923) has the molecular formula C10H21N7O and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
PubChem CID80915923
Molecular FormulaC10H21N7O
Molecular Weight255.33 g/mol
Exact Mass255.18
IUPAC Name1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C10H21N7O/c1-5-10(2,18)6-12-7-13-8(16-11)15-9(14-7)17(3)4/h18H,5-6,11H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyHPBMZBWXHWQALP-UHFFFAOYSA-N
XLogP-0.20
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol (CID 80915923) is 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol?
The InChIKey is HPBMZBWXHWQALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N7O/c1-5-10(2,18)6-12-7-13-8(16-11)15-9(14-7)17(3)4/h18H,5-6,11H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol?
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol has a molecular weight of 255.33 g/mol, XLogP of -0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 80915923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).