(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C13H21N5O — CID 105072063

IUPAC(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccncc2NN)CC1
InChIInChI=1S/C13H21N5O/c1-10(2)17-5-7-18(8-6-17)13(19)11-3-4-15-9-12(11)16-14/h3-4,9-10,16H,5-8,14H2,1-2H3
InChIKeySZEWEJVHCVCCEZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.53
Rot. Bonds3

About (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 105072063) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID105072063
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccncc2NN)CC1
InChIInChI=1S/C13H21N5O/c1-10(2)17-5-7-18(8-6-17)13(19)11-3-4-15-9-12(11)16-14/h3-4,9-10,16H,5-8,14H2,1-2H3
InChIKeySZEWEJVHCVCCEZ-UHFFFAOYSA-N
XLogP0.53
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.53
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]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 106673919
(3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 105071524
(3-hydrazinyl-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 105072540
4-(3-hydrazinylpyridine-4-carbonyl)piperazine-2,6-dione
CID 105072287
(3,3-diethylpyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 105072328
(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105072116
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 63107797
(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62660994
(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 105072274
(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 105072517

Frequently Asked Questions

What is the IUPAC name of (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 105072063) is (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccncc2NN)CC1.
What is the InChIKey of (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is SZEWEJVHCVCCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10(2)17-5-7-18(8-6-17)13(19)11-3-4-15-9-12(11)16-14/h3-4,9-10,16H,5-8,14H2,1-2H3.
What are the key properties of (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 105072063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).