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

C12H19N5O — CID 62234639

IUPAC(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cccnc2NN)CC1
InChIInChI=1S/C12H19N5O/c1-16-6-3-7-17(9-8-16)12(18)10-4-2-5-14-11(10)15-13/h2,4-5H,3,6-9,13H2,1H3,(H,14,15)
InChIKeyVKDIISZSEBNBRO-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.14
Rot. Bonds2

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

(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 62234639) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID62234639
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cccnc2NN)CC1
InChIInChI=1S/C12H19N5O/c1-16-6-3-7-17(9-8-16)12(18)10-4-2-5-14-11(10)15-13/h2,4-5H,3,6-9,13H2,1H3,(H,14,15)
InChIKeyVKDIISZSEBNBRO-UHFFFAOYSA-N
XLogP0.14
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.14
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

[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62930011
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
(2-hydrazinyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249880
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
(2-hydrazinyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170497
(2-hydrazinyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234126
(2-hydrazinyl-3-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777378
(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62236169
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 62234639) is (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2cccnc2NN)CC1.
What is the InChIKey of (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is VKDIISZSEBNBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16-6-3-7-17(9-8-16)12(18)10-4-2-5-14-11(10)15-13/h2,4-5H,3,6-9,13H2,1H3,(H,14,15).
What are the key properties of (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 249.32 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 62234639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).