[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine

C13H16N6O2 — CID 63025123

IUPAC[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine
SMILESNNc1ccc(CN2CCn3ccnc3C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16N6O2/c14-16-11-2-1-10(7-12(11)19(20)21)8-17-5-6-18-4-3-15-13(18)9-17/h1-4,7,16H,5-6,8-9,14H2
InChIKeyNSYYFEHKEJOUPL-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.09
Rot. Bonds4

About [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine

[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine (PubChem CID 63025123) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine
PubChem CID63025123
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine
SMILESNNc1ccc(CN2CCn3ccnc3C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16N6O2/c14-16-11-2-1-10(7-12(11)19(20)21)8-17-5-6-18-4-3-15-13(18)9-17/h1-4,7,16H,5-6,8-9,14H2
InChIKeyNSYYFEHKEJOUPL-UHFFFAOYSA-N
XLogP1.09
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633908
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one
CID 62246151
7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55134729
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
CID 79469112

Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine?
The IUPAC name of [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine (CID 63025123) is [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine is NNc1ccc(CN2CCn3ccnc3C2)cc1[N+](=O)[O-].
What is the InChIKey of [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine?
The InChIKey is NSYYFEHKEJOUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c14-16-11-2-1-10(7-12(11)19(20)21)8-17-5-6-18-4-3-15-13(18)9-17/h1-4,7,16H,5-6,8-9,14H2.
What are the key properties of [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine?
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine has a molecular weight of 288.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 63025123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).