[5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine

C14H22ClN5 — CID 79946279

IUPAC[5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine
SMILESCC1CN2CCCC2CN1Cc1nc(NN)ccc1Cl
InChIInChI=1S/C14H22ClN5/c1-10-7-19-6-2-3-11(19)8-20(10)9-13-12(15)4-5-14(17-13)18-16/h4-5,10-11H,2-3,6-9,16H2,1H3,(H,17,18)
InChIKeyPHAREXZYHRQRAS-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.69
Rot. Bonds3

About [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine

[5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine (PubChem CID 79946279) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine
PubChem CID79946279
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name[5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine
SMILESCC1CN2CCCC2CN1Cc1nc(NN)ccc1Cl
InChIInChI=1S/C14H22ClN5/c1-10-7-19-6-2-3-11(19)8-20(10)9-13-12(15)4-5-14(17-13)18-16/h4-5,10-11H,2-3,6-9,16H2,1H3,(H,17,18)
InChIKeyPHAREXZYHRQRAS-UHFFFAOYSA-N
XLogP1.69
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.69
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'}

Analyze [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine with MolForge

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Related Compounds

[5-chloro-6-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62891367
2-[(6-chloro-2-pyridinyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038404
(3S)-2-[(4-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211166
[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine
CID 79945518
5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 62890748
[1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]piperidin-2-yl]methanol
CID 62890632
N-[[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]ethanamine
CID 79933916
[5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 83221611
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
(3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211255
2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930322
N-methyl-1-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79945683

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine (CID 79946279) is [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine is CC1CN2CCCC2CN1Cc1nc(NN)ccc1Cl.
What is the InChIKey of [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine?
The InChIKey is PHAREXZYHRQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-10-7-19-6-2-3-11(19)8-20(10)9-13-12(15)4-5-14(17-13)18-16/h4-5,10-11H,2-3,6-9,16H2,1H3,(H,17,18).
What are the key properties of [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine?
[5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine has a molecular weight of 295.82 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79946279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).