1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide

C8H13N5O2 — CID 66811964

IUPAC1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide
SMILESNNC(=O)C1C=CC=CC1(N)C(=O)NN
InChIInChI=1S/C8H13N5O2/c9-8(7(15)13-11)4-2-1-3-5(8)6(14)12-10/h1-5H,9-11H2,(H,12,14)(H,13,15)
InChIKeyIPQCDHUZDPVNJZ-UHFFFAOYSA-N
MW211.23 g/mol
LogP-2.59
Rot. Bonds2

About 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide

1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide (PubChem CID 66811964) has the molecular formula C8H13N5O2 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide.

Molecular Properties

Compound Name1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide
PubChem CID66811964
Molecular FormulaC8H13N5O2
Molecular Weight211.23 g/mol
Exact Mass211.11
IUPAC Name1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide
SMILESNNC(=O)C1C=CC=CC1(N)C(=O)NN
InChIInChI=1S/C8H13N5O2/c9-8(7(15)13-11)4-2-1-3-5(8)6(14)12-10/h1-5H,9-11H2,(H,12,14)(H,13,15)
InChIKeyIPQCDHUZDPVNJZ-UHFFFAOYSA-N
XLogP-2.59
TPSA136.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide
CID 151394217
1-hydroxycyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 22292283
1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 157098442
6-bromo-6-iodocyclohexa-2,4-diene-1-carboxamide
CID 139434519
1-(2-phenylethenyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 154106781
methyl 6,6-difluorocyclohexa-2,4-diene-1-carboxylate
CID 150388160
(1R)-2,2-difluorocyclopropane-1-carbohydrazide
CID 134522612
6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 67238037
6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide
CID 146518501
cis-(1R,2S)-2-hydroxycyclopentane-1-carbohydrazide
CID 14687010
2-chloro-1-[(1R)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanone
CID 97303738
6-(2-boronoethyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 66855480

Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide?
The IUPAC name of 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide (CID 66811964) is 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide.
What is the SMILES notation for 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide?
The canonical SMILES for 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide is NNC(=O)C1C=CC=CC1(N)C(=O)NN.
What is the InChIKey of 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide?
The InChIKey is IPQCDHUZDPVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-8(7(15)13-11)4-2-1-3-5(8)6(14)12-10/h1-5H,9-11H2,(H,12,14)(H,13,15).
What are the key properties of 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide?
1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide has a molecular weight of 211.23 g/mol, XLogP of -2.59, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide is sourced from PubChem (CID 66811964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).