4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol

C11H10N6O3 — CID 136670038

IUPAC4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESNc1ncnc(N/N=C\c2ccc(O)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N6O3/c12-10-9(17(19)20)11(14-6-13-10)16-15-5-7-1-3-8(18)4-2-7/h1-6,18H,(H3,12,13,14,16)/b15-5-
InChIKeyQXCPFJPDDNQPLE-WCSRMQSCSA-N
MW274.24 g/mol
LogP1.12
Rot. Bonds4

About 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol

4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 136670038) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID136670038
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESNc1ncnc(N/N=C\c2ccc(O)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N6O3/c12-10-9(17(19)20)11(14-6-13-10)16-15-5-7-1-3-8(18)4-2-7/h1-6,18H,(H3,12,13,14,16)/b15-5-
InChIKeyQXCPFJPDDNQPLE-WCSRMQSCSA-N
XLogP1.12
TPSA139.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

4-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 135460447
2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135443095
3-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 9685289
4-[[(5-Nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3904863
4-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135615761
Benzaldehyde, p-hydroxy-, (5-nitro-2-pyridyl)hydrazone
CID 135850203
1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135683531
4-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-5-nitropyrimidine-4,6-diamine
CID 9631656
4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 136766918
6-{(2E)-2-[4-(difluoromethoxy)benzylidene]hydrazinyl}-5-nitropyrimidin-4-amine
CID 9657111
(E)-4-((2-(6-amino-5-nitropyrimidin-4-yl)hydrazono)methyl)phenol
CID 86261367
4-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135606748

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 136670038) is 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol is Nc1ncnc(N/N=C\c2ccc(O)cc2)c1[N+](=O)[O-].
What is the InChIKey of 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is QXCPFJPDDNQPLE-WCSRMQSCSA-N. The full InChI is InChI=1S/C11H10N6O3/c12-10-9(17(19)20)11(14-6-13-10)16-15-5-7-1-3-8(18)4-2-7/h1-6,18H,(H3,12,13,14,16)/b15-5-.
What are the key properties of 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 274.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136670038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).