(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C12H18N4O2 — CID 105072116

IUPAC(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2ccncc2NN)CCCO1
InChIInChI=1S/C12H18N4O2/c1-9-8-16(5-2-6-18-9)12(17)10-3-4-14-7-11(10)15-13/h3-4,7,9,15H,2,5-6,8,13H2,1H3
InChIKeyKUIXFXQXFBTETE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds2

About (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 105072116) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID105072116
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2ccncc2NN)CCCO1
InChIInChI=1S/C12H18N4O2/c1-9-8-16(5-2-6-18-9)12(17)10-3-4-14-7-11(10)15-13/h3-4,7,9,15H,2,5-6,8,13H2,1H3
InChIKeyKUIXFXQXFBTETE-UHFFFAOYSA-N
XLogP0.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
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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Related Compounds

[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
(3-hydrazinyl-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 105072540
(4-hydrazinyl-6-methyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81256605
(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 106673919
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501
(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 105072274
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968377
(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105072063
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577

Frequently Asked Questions

What is the IUPAC name of (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 105072116) is (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2ccncc2NN)CCCO1.
What is the InChIKey of (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is KUIXFXQXFBTETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-8-16(5-2-6-18-9)12(17)10-3-4-14-7-11(10)15-13/h3-4,7,9,15H,2,5-6,8,13H2,1H3.
What are the key properties of (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 105072116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).