pyrene-1,8-dicarbohydrazide

C18H14N4O2 — CID 139611940

IUPACpyrene-1,8-dicarbohydrazide
SMILESNNC(=O)c1ccc2ccc3ccc(C(=O)NN)c4ccc1c2c34
InChIInChI=1S/C18H14N4O2/c19-21-17(23)13-5-3-9-1-2-10-4-6-14(18(24)22-20)12-8-7-11(13)15(9)16(10)12/h1-8H,19-20H2,(H,21,23)(H,22,24)
InChIKeyHOJKQAYUDPHUSP-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.79
Rot. Bonds2

About pyrene-1,8-dicarbohydrazide

pyrene-1,8-dicarbohydrazide (PubChem CID 139611940) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is pyrene-1,8-dicarbohydrazide.

Molecular Properties

Compound Namepyrene-1,8-dicarbohydrazide
PubChem CID139611940
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Namepyrene-1,8-dicarbohydrazide
SMILESNNC(=O)c1ccc2ccc3ccc(C(=O)NN)c4ccc1c2c34
InChIInChI=1S/C18H14N4O2/c19-21-17(23)13-5-3-9-1-2-10-4-6-14(18(24)22-20)12-8-7-11(13)15(9)16(10)12/h1-8H,19-20H2,(H,21,23)(H,22,24)
InChIKeyHOJKQAYUDPHUSP-UHFFFAOYSA-N
XLogP1.79
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

pyrene-1-carbonyl bromide
CID 175286492
N-hexylpyrene-1-carboxamide
CID 15111775
8-chloronaphthalene-1-carbohydrazide
CID 176640638
1-(6-aminopyren-1-yl)ethanone
CID 71370113
4-(pyrene-1-carbonyloxy)butyl pyrene-1-carboxylate
CID 101008536
N-cyclohexylpyrene-1-carboxamide
CID 15111774
4-(dimethylamino)naphthalene-1-carbohydrazide
CID 58897573
methylphosphane;methyl pyrene-1-carboxylate
CID 174549846
benzyl pyrene-1-carboxylate
CID 71374749
5-bromonaphthalene-1-carbohydrazide
CID 22115886
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
N-(2-methylquinolin-8-yl)pyrene-1-carboxamide
CID 168859940

Frequently Asked Questions

What is the IUPAC name of pyrene-1,8-dicarbohydrazide?
The IUPAC name of pyrene-1,8-dicarbohydrazide (CID 139611940) is pyrene-1,8-dicarbohydrazide.
What is the SMILES notation for pyrene-1,8-dicarbohydrazide?
The canonical SMILES for pyrene-1,8-dicarbohydrazide is NNC(=O)c1ccc2ccc3ccc(C(=O)NN)c4ccc1c2c34.
What is the InChIKey of pyrene-1,8-dicarbohydrazide?
The InChIKey is HOJKQAYUDPHUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-21-17(23)13-5-3-9-1-2-10-4-6-14(18(24)22-20)12-8-7-11(13)15(9)16(10)12/h1-8H,19-20H2,(H,21,23)(H,22,24).
What are the key properties of pyrene-1,8-dicarbohydrazide?
pyrene-1,8-dicarbohydrazide has a molecular weight of 318.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene-1,8-dicarbohydrazide is sourced from PubChem (CID 139611940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).