(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone

C12H18ClN5O — CID 114086990

IUPAC(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H18ClN5O/c1-8-7-17(2)5-6-18(8)12(19)11-9(13)3-4-10(15-11)16-14/h3-4,8H,5-7,14H2,1-2H3,(H,15,16)
InChIKeyMDISKWOWXWXRBP-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.80
Rot. Bonds2

About (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone

(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 114086990) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID114086990
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H18ClN5O/c1-8-7-17(2)5-6-18(8)12(19)11-9(13)3-4-10(15-11)16-14/h3-4,8H,5-7,14H2,1-2H3,(H,15,16)
InChIKeyMDISKWOWXWXRBP-UHFFFAOYSA-N
XLogP0.80
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.80
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 (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone (CID 114086990) is (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone is CC1CN(C)CCN1C(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is MDISKWOWXWXRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-8-7-17(2)5-6-18(8)12(19)11-9(13)3-4-10(15-11)16-14/h3-4,8H,5-7,14H2,1-2H3,(H,15,16).
What are the key properties of (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone?
(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 283.76 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114086990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).