2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C7H10N4O — CID 135984486

IUPAC2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNNc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C7H10N4O/c8-11-7-9-5-3-1-2-4(5)6(12)10-7/h1-3,8H2,(H2,9,10,11,12)
InChIKeySGSMYEGRCJGOAH-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.46
Rot. Bonds1

About 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135984486) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135984486
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNNc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C7H10N4O/c8-11-7-9-5-3-1-2-4(5)6(12)10-7/h1-3,8H2,(H2,9,10,11,12)
InChIKeySGSMYEGRCJGOAH-UHFFFAOYSA-N
XLogP-0.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135984486) is 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is NNc1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is SGSMYEGRCJGOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-11-7-9-5-3-1-2-4(5)6(12)10-7/h1-3,8H2,(H2,9,10,11,12).
What are the key properties of 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 166.18 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135984486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).