1-butyl-3-methyl-1-pyridazin-4-ylurea

C10H16N4O — CID 70407071

IUPAC1-butyl-3-methyl-1-pyridazin-4-ylurea
SMILESCCCCN(C(=O)NC)c1ccnnc1
InChIInChI=1S/C10H16N4O/c1-3-4-7-14(10(15)11-2)9-5-6-12-13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,11,15)
InChIKeyRPECYLQYUSYYFO-UHFFFAOYSA-N
MW208.27 g/mol
LogP1.42
Rot. Bonds4

About 1-butyl-3-methyl-1-pyridazin-4-ylurea

1-butyl-3-methyl-1-pyridazin-4-ylurea (PubChem CID 70407071) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-butyl-3-methyl-1-pyridazin-4-ylurea.

Molecular Properties

Compound Name1-butyl-3-methyl-1-pyridazin-4-ylurea
PubChem CID70407071
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name1-butyl-3-methyl-1-pyridazin-4-ylurea
SMILESCCCCN(C(=O)NC)c1ccnnc1
InChIInChI=1S/C10H16N4O/c1-3-4-7-14(10(15)11-2)9-5-6-12-13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,11,15)
InChIKeyRPECYLQYUSYYFO-UHFFFAOYSA-N
XLogP1.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3-methyl-1-pyridazin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
CID 64585223
N-chloro-N-ethylpyridazin-4-amine
CID 174888291
N-hexyl-N-pyridin-4-yloctanamide
CID 102480897
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
CID 104669257
1,3-dibutyl-1-[4-[butyl-[butyl-[4-(hydroxymethyl)phenyl]carbamoyl]amino]phenyl]-3-[4-(hydroxymethyl)phenyl]urea
CID 129120352
octyl(phenyl)carbamic acid
CID 54301990
methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate
CID 134486696
2-methyl-N-pyridazin-4-ylhexanamide
CID 154864675
1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 118729135
4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840212
N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide
CID 64584654

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-1-pyridazin-4-ylurea?
The IUPAC name of 1-butyl-3-methyl-1-pyridazin-4-ylurea (CID 70407071) is 1-butyl-3-methyl-1-pyridazin-4-ylurea.
What is the SMILES notation for 1-butyl-3-methyl-1-pyridazin-4-ylurea?
The canonical SMILES for 1-butyl-3-methyl-1-pyridazin-4-ylurea is CCCCN(C(=O)NC)c1ccnnc1.
What is the InChIKey of 1-butyl-3-methyl-1-pyridazin-4-ylurea?
The InChIKey is RPECYLQYUSYYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-4-7-14(10(15)11-2)9-5-6-12-13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,11,15).
What are the key properties of 1-butyl-3-methyl-1-pyridazin-4-ylurea?
1-butyl-3-methyl-1-pyridazin-4-ylurea has a molecular weight of 208.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-1-pyridazin-4-ylurea is sourced from PubChem (CID 70407071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).