N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide

C12H14N4O2 — CID 154865894

IUPACN'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide
SMILESO=C(NNC(=O)C1C[C@@H]2C[C@@H]2C1)c1ncccn1
InChIInChI=1S/C12H14N4O2/c17-11(9-5-7-4-8(7)6-9)15-16-12(18)10-13-2-1-3-14-10/h1-3,7-9H,4-6H2,(H,15,17)(H,16,18)/t7-,8+,9?
InChIKeyIHOFAMROTWZBJU-JVHMLUBASA-N
MW246.27 g/mol
LogP0.28
Rot. Bonds2

About N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide

N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide (PubChem CID 154865894) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide
PubChem CID154865894
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide
SMILESO=C(NNC(=O)C1C[C@@H]2C[C@@H]2C1)c1ncccn1
InChIInChI=1S/C12H14N4O2/c17-11(9-5-7-4-8(7)6-9)15-16-12(18)10-13-2-1-3-14-10/h1-3,7-9H,4-6H2,(H,15,17)(H,16,18)/t7-,8+,9?
InChIKeyIHOFAMROTWZBJU-JVHMLUBASA-N
XLogP0.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]furan-2-carbohydrazide
CID 154865742
N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide
CID 166415038
N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide
CID 166311393
N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223145
N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide
CID 154842455
N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 34260535
3-amino-N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 36706406
N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
CID 97315545
N-methoxypyrimidine-2-carboxamide
CID 115635317
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107595584
N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide
CID 51117816

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide?
The IUPAC name of N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide (CID 154865894) is N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide is O=C(NNC(=O)C1C[C@@H]2C[C@@H]2C1)c1ncccn1.
What is the InChIKey of N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide?
The InChIKey is IHOFAMROTWZBJU-JVHMLUBASA-N. The full InChI is InChI=1S/C12H14N4O2/c17-11(9-5-7-4-8(7)6-9)15-16-12(18)10-13-2-1-3-14-10/h1-3,7-9H,4-6H2,(H,15,17)(H,16,18)/t7-,8+,9?.
What are the key properties of N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide?
N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide has a molecular weight of 246.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 154865894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).