(6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C14H21N5O — CID 79945698

IUPAC(6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1CN2CCCC2CN1C(=O)c1cccc(NN)n1
InChIInChI=1S/C14H21N5O/c1-10-8-18-7-3-4-11(18)9-19(10)14(20)12-5-2-6-13(16-12)17-15/h2,5-6,10-11H,3-4,7-9,15H2,1H3,(H,16,17)
InChIKeyLUSIZRBBABDUBP-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.68
Rot. Bonds2

About (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 79945698) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID79945698
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1CN2CCCC2CN1C(=O)c1cccc(NN)n1
InChIInChI=1S/C14H21N5O/c1-10-8-18-7-3-4-11(18)9-19(10)14(20)12-5-2-6-13(16-12)17-15/h2,5-6,10-11H,3-4,7-9,15H2,1H3,(H,16,17)
InChIKeyLUSIZRBBABDUBP-UHFFFAOYSA-N
XLogP0.68
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 79945698) is (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CC1CN2CCCC2CN1C(=O)c1cccc(NN)n1.
What is the InChIKey of (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is LUSIZRBBABDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-8-18-7-3-4-11(18)9-19(10)14(20)12-5-2-6-13(16-12)17-15/h2,5-6,10-11H,3-4,7-9,15H2,1H3,(H,16,17).
What are the key properties of (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 275.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 79945698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).