1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid

C13H14N4O2 — CID 130387141

IUPAC1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C13H14N4O2/c1-8(15-13(18)19)10-7-11(14)16-17-12(10)9-5-3-2-4-6-9/h2-8,15H,1H3,(H2,14,16)(H,18,19)
InChIKeyAIPGGBRCRRXVGC-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.05
Rot. Bonds3

About 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid

1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid (PubChem CID 130387141) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid
PubChem CID130387141
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C13H14N4O2/c1-8(15-13(18)19)10-7-11(14)16-17-12(10)9-5-3-2-4-6-9/h2-8,15H,1H3,(H2,14,16)(H,18,19)
InChIKeyAIPGGBRCRRXVGC-UHFFFAOYSA-N
XLogP2.05
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Formic acid, 1-benzyl-2-(4,6-dimethyl-3-pyridazinyl)hydrazide
CID 28432
(5-Benzyl-6-methylpyridazin-3-yl)urea
CID 10444412
[6-[4-(Trifluoromethyl)phenyl]pyridazin-3-yl]carbamic acid
CID 90977259
[3-[6-(Trifluoromethyl)pyridazin-3-yl]phenyl]methylcarbamic acid
CID 118272228
[1-[4-(6-Amino-4-phenylpyridazin-3-yl)phenyl]-3-fluorocyclobutyl]carbamic acid
CID 121439156
1-[1-(3-Methylphenyl)ethyl]-3-[6-(trifluoromethyl)pyridazin-3-yl]urea
CID 146130614
N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide
CID 54151478
tert-butyl N-[3-(3-amino-6-phenylpyridazin-4-yl)propyl]carbamate
CID 59867575
[1-(6-Phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid
CID 67136657
[(6-Phenylpyridazin-3-yl)-piperidin-4-ylmethyl]carbamic acid
CID 67136659
2-[1-(6-Phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid
CID 67136783
2-(6-Phenylpyridazin-3-yl)ethylcarbamic acid
CID 68413066

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid?
The IUPAC name of 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid (CID 130387141) is 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid?
The canonical SMILES for 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid is CC(NC(=O)O)c1cc(N)nnc1-c1ccccc1.
What is the InChIKey of 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid?
The InChIKey is AIPGGBRCRRXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8(15-13(18)19)10-7-11(14)16-17-12(10)9-5-3-2-4-6-9/h2-8,15H,1H3,(H2,14,16)(H,18,19).
What are the key properties of 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid?
1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid has a molecular weight of 258.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-phenylpyridazin-4-yl)ethylcarbamic acid is sourced from PubChem (CID 130387141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).