1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol

C10H16N6O3 — CID 114045121

IUPAC1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol
SMILESCc1nc(NN)nc(N2CCC(O)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c1-6-8(16(18)19)9(13-10(12-6)14-11)15-4-2-7(17)3-5-15/h7,17H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyTVWUHSPOIBZHCB-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.06
Rot. Bonds3

About 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol

1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol (PubChem CID 114045121) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol
PubChem CID114045121
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol
SMILESCc1nc(NN)nc(N2CCC(O)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c1-6-8(16(18)19)9(13-10(12-6)14-11)15-4-2-7(17)3-5-15/h7,17H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyTVWUHSPOIBZHCB-UHFFFAOYSA-N
XLogP-0.06
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol (CID 114045121) is 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol is Cc1nc(NN)nc(N2CCC(O)CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol?
The InChIKey is TVWUHSPOIBZHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-6-8(16(18)19)9(13-10(12-6)14-11)15-4-2-7(17)3-5-15/h7,17H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol?
1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol has a molecular weight of 268.28 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 114045121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).