1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

C15H12N6O3 — CID 135683531

IUPAC1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESNc1ncnc(N/N=C/c2c(O)ccc3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C15H12N6O3/c16-14-13(21(23)24)15(18-8-17-14)20-19-7-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,16,17,18,20)/b19-7+
InChIKeyDONNLSITUBUQQE-FBCYGCLPSA-N
MW324.30 g/mol
LogP2.27
Rot. Bonds4

About 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135683531) has the molecular formula C15H12N6O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135683531
Molecular FormulaC15H12N6O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESNc1ncnc(N/N=C/c2c(O)ccc3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C15H12N6O3/c16-14-13(21(23)24)15(18-8-17-14)20-19-7-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,16,17,18,20)/b19-7+
InChIKeyDONNLSITUBUQQE-FBCYGCLPSA-N
XLogP2.27
TPSA139.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

1-Naphthaldehyde, 2-hydroxy-, (5-nitro-2-pyridyl)hydrazone
CID 135408599
4-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135615761
(E)-4-((2-(6-amino-5-nitropyrimidin-4-yl)hydrazono)methyl)phenol
CID 86261367
4-[(E)-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazin-1-ylidene]methyl]phenol
CID 136670038
2-Hydroxy-1-naphthaldehyde (5-bromo-2-pyrimidinyl)hydrazone
CID 135421696
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dinitropyrimidine-2-carboxamide
CID 168765327
2-N,4-N-bis[(2-methoxynaphthalen-1-yl)methylideneamino]-5-nitropyrimidine-2,4-diamine
CID 437822
1-[[(5-Bromopyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2841987
1-{[2-(5-Nitropyridin-2-yl)hydrazinylidene]methyl}naphthalen-2-ol
CID 4008809
4-[[(6-Amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 4067118
4-[[(6-Amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 4123103
1-[[(6-Amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 4220660

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 135683531) is 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is Nc1ncnc(N/N=C/c2c(O)ccc3ccccc23)c1[N+](=O)[O-].
What is the InChIKey of 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is DONNLSITUBUQQE-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H12N6O3/c16-14-13(21(23)24)15(18-8-17-14)20-19-7-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,16,17,18,20)/b19-7+.
What are the key properties of 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 324.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135683531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).