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

C11H23N7O — CID 107159895

IUPAC1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C11H23N7O/c1-7(2)5-8(19)6-13-9-14-10(17-12)16-11(15-9)18(3)4/h7-8,19H,5-6,12H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyBRVRHNURGBXMFH-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.04
Rot. Bonds7

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

1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol (PubChem CID 107159895) has the molecular formula C11H23N7O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
PubChem CID107159895
Molecular FormulaC11H23N7O
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C11H23N7O/c1-7(2)5-8(19)6-13-9-14-10(17-12)16-11(15-9)18(3)4/h7-8,19H,5-6,12H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyBRVRHNURGBXMFH-UHFFFAOYSA-N
XLogP0.04
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.04
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]-4-methylpentan-2-ol?
The IUPAC name of 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol (CID 107159895) is 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol is CC(C)CC(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]-4-methylpentan-2-ol?
The InChIKey is BRVRHNURGBXMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7O/c1-7(2)5-8(19)6-13-9-14-10(17-12)16-11(15-9)18(3)4/h7-8,19H,5-6,12H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol has a molecular weight of 269.35 g/mol, XLogP of 0.04, 7 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]-4-methylpentan-2-ol is sourced from PubChem (CID 107159895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).