1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol

C11H16F3N5O — CID 112737819

IUPAC1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1c(NN)ncnc1N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5O/c1-7-8(18-15)16-6-17-9(7)19-4-2-10(20,3-5-19)11(12,13)14/h6,20H,2-5,15H2,1H3,(H,16,17,18)
InChIKeyRJZJQKTXRPQMSC-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.96
Rot. Bonds2

About 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol

1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 112737819) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID112737819
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1c(NN)ncnc1N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5O/c1-7-8(18-15)16-6-17-9(7)19-4-2-10(20,3-5-19)11(12,13)14/h6,20H,2-5,15H2,1H3,(H,16,17,18)
InChIKeyRJZJQKTXRPQMSC-UHFFFAOYSA-N
XLogP0.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol (CID 112737819) is 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol is Cc1c(NN)ncnc1N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is RJZJQKTXRPQMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-7-8(18-15)16-6-17-9(7)19-4-2-10(20,3-5-19)11(12,13)14/h6,20H,2-5,15H2,1H3,(H,16,17,18).
What are the key properties of 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol?
1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 291.28 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinyl-5-methylpyrimidin-4-yl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 112737819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).