1-propan-2-yl-3-pyridazin-4-ylurea

C8H12N4O — CID 14099145

IUPAC1-propan-2-yl-3-pyridazin-4-ylurea
SMILESCC(C)NC(=O)Nc1ccnnc1
InChIInChI=1S/C8H12N4O/c1-6(2)11-8(13)12-7-3-4-9-10-5-7/h3-6H,1-2H3,(H2,9,11,12,13)
InChIKeyLJGLXGVXRDSYKA-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.01
Rot. Bonds2

About 1-propan-2-yl-3-pyridazin-4-ylurea

1-propan-2-yl-3-pyridazin-4-ylurea (PubChem CID 14099145) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-propan-2-yl-3-pyridazin-4-ylurea.

Molecular Properties

Compound Name1-propan-2-yl-3-pyridazin-4-ylurea
PubChem CID14099145
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-propan-2-yl-3-pyridazin-4-ylurea
SMILESCC(C)NC(=O)Nc1ccnnc1
InChIInChI=1S/C8H12N4O/c1-6(2)11-8(13)12-7-3-4-9-10-5-7/h3-6H,1-2H3,(H2,9,11,12,13)
InChIKeyLJGLXGVXRDSYKA-UHFFFAOYSA-N
XLogP1.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methylpyridazin-4-amine
CID 23080684
N-ethylpyridazin-4-amine
CID 68802730
Propanamide, 2,2-dimethyl-N-4-pyridazinyl-
CID 10012501
N-pyridazin-5-ylformamide
CID 14651321
1-(3-Ethoxycyclobutyl)-3-pyridazin-4-ylurea
CID 132326585
1-Methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea
CID 121293266
N-4-Pyridazinylacetamide
CID 23273413
N-pyridazin-4-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 128703989
1-Pyridazin-4-yl-3-(2,2,2-trifluoroethyl)urea
CID 132299781
5-fluoro-N-pyridazin-4-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 132354217
1-[[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea
CID 154765477
N-(6-chloro-4-pyridazinyl)-N'-(1-methylethyl)urea
CID 14099146

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-pyridazin-4-ylurea?
The IUPAC name of 1-propan-2-yl-3-pyridazin-4-ylurea (CID 14099145) is 1-propan-2-yl-3-pyridazin-4-ylurea.
What is the SMILES notation for 1-propan-2-yl-3-pyridazin-4-ylurea?
The canonical SMILES for 1-propan-2-yl-3-pyridazin-4-ylurea is CC(C)NC(=O)Nc1ccnnc1.
What is the InChIKey of 1-propan-2-yl-3-pyridazin-4-ylurea?
The InChIKey is LJGLXGVXRDSYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6(2)11-8(13)12-7-3-4-9-10-5-7/h3-6H,1-2H3,(H2,9,11,12,13).
What are the key properties of 1-propan-2-yl-3-pyridazin-4-ylurea?
1-propan-2-yl-3-pyridazin-4-ylurea has a molecular weight of 180.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-pyridazin-4-ylurea is sourced from PubChem (CID 14099145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).