2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine

C16H16N6 — CID 174085163

IUPAC2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine
SMILES[H]/N=C/C(=NN)c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C16H16N6/c17-7-14(21-18)16-10-4-2-1-3-9(10)15-11-8-19-22-12(11)5-6-13(15)20-16/h5-8,17H,1-4,18H2,(H,19,22)/b17-7+,21-14?
InChIKeyMWGYVUUJEBRJQU-CBIZNEJFSA-N
MW292.35 g/mol
LogP2.30
Rot. Bonds2

About 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine

2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine (PubChem CID 174085163) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine.

Molecular Properties

Compound Name2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine
PubChem CID174085163
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine
SMILES[H]/N=C/C(=NN)c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C16H16N6/c17-7-14(21-18)16-10-4-2-1-3-9(10)15-11-8-19-22-12(11)5-6-13(15)20-16/h5-8,17H,1-4,18H2,(H,19,22)/b17-7+,21-14?
InChIKeyMWGYVUUJEBRJQU-CBIZNEJFSA-N
XLogP2.30
TPSA103.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-4-imino-3-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)but-2-en-2-amine
CID 174084881
1,1,1-trifluoro-4-imino-3-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)but-2-en-2-amine
CID 174085156
1,1,1-trifluoro-4-imino-3-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)but-2-en-2-amine
CID 174115700
N'-hydroxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide
CID 142445480
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide
CID 155151663
2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol
CID 155151677
[2-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)thiophen-3-yl]boronic acid
CID 155562268
6-(3-amino-1-methyliminobut-2-en-2-yl)-1-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-2-amine
CID 174084884
[2-ethoxy-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid
CID 166610816
11-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaene
CID 150409843
N-(2-pyrrolidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 171365058

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine?
The IUPAC name of 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine (CID 174085163) is 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine.
What is the SMILES notation for 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine?
The canonical SMILES for 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine is [H]/N=C/C(=NN)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine?
The InChIKey is MWGYVUUJEBRJQU-CBIZNEJFSA-N. The full InChI is InChI=1S/C16H16N6/c17-7-14(21-18)16-10-4-2-1-3-9(10)15-11-8-19-22-12(11)5-6-13(15)20-16/h5-8,17H,1-4,18H2,(H,19,22)/b17-7+,21-14?.
What are the key properties of 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine?
2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine has a molecular weight of 292.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylidene-2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)ethanimine is sourced from PubChem (CID 174085163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).