amino(pyridazin-3-yl)carbamic acid

C5H6N4O2 — CID 174865734

IUPACamino(pyridazin-3-yl)carbamic acid
SMILESNN(C(=O)O)c1cccnn1
InChIInChI=1S/C5H6N4O2/c6-9(5(10)11)4-2-1-3-7-8-4/h1-3H,6H2,(H,10,11)
InChIKeyRFAYCTKXPJBFSW-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.17
Rot. Bonds1

About amino(pyridazin-3-yl)carbamic acid

amino(pyridazin-3-yl)carbamic acid (PubChem CID 174865734) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is amino(pyridazin-3-yl)carbamic acid.

Molecular Properties

Compound Nameamino(pyridazin-3-yl)carbamic acid
PubChem CID174865734
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Nameamino(pyridazin-3-yl)carbamic acid
SMILESNN(C(=O)O)c1cccnn1
InChIInChI=1S/C5H6N4O2/c6-9(5(10)11)4-2-1-3-7-8-4/h1-3H,6H2,(H,10,11)
InChIKeyRFAYCTKXPJBFSW-UHFFFAOYSA-N
XLogP-0.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid
CID 82239338
methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
CID 94903520
(Z)-but-2-enedioic acid;pyridazin-3-amine
CID 172845620
pyridazine-3-carboxamide;pyridine
CID 172726513
3-fluoropyridazine;oxalic acid
CID 175339243
ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
CID 114998997
1-pentyl-1-pyridazin-3-ylhydrazine
CID 70413954
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride
CID 21329146
3-phenylpyridazine-4-carboxamide
CID 141336777
N-ethyl-N-methylpyridazin-3-amine
CID 90701393
acetic acid;pyridazine-3-carboxylic acid
CID 162329499
pyridazin-3-ylurea
CID 13080987

Frequently Asked Questions

What is the IUPAC name of amino(pyridazin-3-yl)carbamic acid?
The IUPAC name of amino(pyridazin-3-yl)carbamic acid (CID 174865734) is amino(pyridazin-3-yl)carbamic acid.
What is the SMILES notation for amino(pyridazin-3-yl)carbamic acid?
The canonical SMILES for amino(pyridazin-3-yl)carbamic acid is NN(C(=O)O)c1cccnn1.
What is the InChIKey of amino(pyridazin-3-yl)carbamic acid?
The InChIKey is RFAYCTKXPJBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-9(5(10)11)4-2-1-3-7-8-4/h1-3H,6H2,(H,10,11).
What are the key properties of amino(pyridazin-3-yl)carbamic acid?
amino(pyridazin-3-yl)carbamic acid has a molecular weight of 154.13 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino(pyridazin-3-yl)carbamic acid is sourced from PubChem (CID 174865734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).