(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine

C14H15N3O — CID 135923483

IUPAC(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
SMILESCc1[nH]nc2c1/C(=N\O)CC(c1ccccc1)C2
InChIInChI=1S/C14H15N3O/c1-9-14-12(16-15-9)7-11(8-13(14)17-18)10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H,15,16)/b17-13-
InChIKeyITLUALADFBZOPF-LGMDPLHJSA-N
MW241.29 g/mol
LogP2.63
Rot. Bonds1

About (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine

(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine (PubChem CID 135923483) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
PubChem CID135923483
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
SMILESCc1[nH]nc2c1/C(=N\O)CC(c1ccccc1)C2
InChIInChI=1S/C14H15N3O/c1-9-14-12(16-15-9)7-11(8-13(14)17-18)10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H,15,16)/b17-13-
InChIKeyITLUALADFBZOPF-LGMDPLHJSA-N
XLogP2.63
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
CID 648430
(NE)-N-[(6S)-6-phenyl-3-propyl-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine
CID 135850798
(NE)-N-[(6S)-3-methyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]hydroxylamine
CID 6339382
2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride
CID 135581655
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280
1-[(Z)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]-2-methylguanidine;hydrochloride
CID 135581645
(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
CID 40713703
(NE)-N-[(6S)-6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]hydroxylamine
CID 6339675
N-(3-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 72727345
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 25167617
2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one
CID 135530271
(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291180

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine (CID 135923483) is (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine is Cc1[nH]nc2c1/C(=N\O)CC(c1ccccc1)C2.
What is the InChIKey of (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The InChIKey is ITLUALADFBZOPF-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-14-12(16-15-9)7-11(8-13(14)17-18)10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H,15,16)/b17-13-.
What are the key properties of (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine has a molecular weight of 241.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135923483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).