N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine

C12H19ClN4 — CID 62891307

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C12H19ClN4/c1-8(9-3-4-9)17(2)7-11-10(13)5-6-12(15-11)16-14/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyQCERDAOQDDHQJA-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.25
Rot. Bonds5

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine (PubChem CID 62891307) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine
PubChem CID62891307
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C12H19ClN4/c1-8(9-3-4-9)17(2)7-11-10(13)5-6-12(15-11)16-14/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyQCERDAOQDDHQJA-UHFFFAOYSA-N
XLogP2.25
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 62892231
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propan-2-ol
CID 62892238
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62892236
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine
CID 62892380
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
CID 62891013
5-chloro-6-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62890996
1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
CID 116652443
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol
CID 62890480
5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 62891142
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 62890826
5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 55127729
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile
CID 62891363

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine (CID 62891307) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine is CC(C1CC1)N(C)Cc1nc(NN)ccc1Cl.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine?
The InChIKey is QCERDAOQDDHQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-8(9-3-4-9)17(2)7-11-10(13)5-6-12(15-11)16-14/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine has a molecular weight of 254.76 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 62891307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).