1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine

C13H16BrN5 — CID 103060724

IUPAC1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1cnc(NN)cn1
InChIInChI=1S/C13H16BrN5/c1-19(8-10-2-4-11(14)5-3-10)9-12-6-17-13(18-15)7-16-12/h2-7H,8-9,15H2,1H3,(H,17,18)
InChIKeySFVNUANPFDUTDM-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine

1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine (PubChem CID 103060724) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine
PubChem CID103060724
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1cnc(NN)cn1
InChIInChI=1S/C13H16BrN5/c1-19(8-10-2-4-11(14)5-3-10)9-12-6-17-13(18-15)7-16-12/h2-7H,8-9,15H2,1H3,(H,17,18)
InChIKeySFVNUANPFDUTDM-UHFFFAOYSA-N
XLogP2.16
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.16
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

1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine
CID 62246114
1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine
CID 103054121
1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
1-(5-hydrazinylpyrazin-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 103060502
N'-[(5-hydrazinylpyrazin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 103061005
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 103061186
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103060692
2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline
CID 103060603
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylcyclopropanamine
CID 103060869
N-benzyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
CID 103060861
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61415653

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine (CID 103060724) is 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine is CN(Cc1ccc(Br)cc1)Cc1cnc(NN)cn1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine?
The InChIKey is SFVNUANPFDUTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-19(8-10-2-4-11(14)5-3-10)9-12-6-17-13(18-15)7-16-12/h2-7H,8-9,15H2,1H3,(H,17,18).
What are the key properties of 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine?
1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine has a molecular weight of 322.21 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 103060724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).