1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea

C15H18ClN5O — CID 113047638

IUPAC1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCc1c(Cl)cccc1Nc1ccc(NC(=O)NC(C)C)nn1
InChIInChI=1S/C15H18ClN5O/c1-9(2)17-15(22)19-14-8-7-13(20-21-14)18-12-6-4-5-11(16)10(12)3/h4-9H,1-3H3,(H,18,20)(H2,17,19,21,22)
InChIKeyIYCYAKQGZXDJCV-UHFFFAOYSA-N
MW319.80 g/mol
LogP3.71
Rot. Bonds4

About 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea

1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea (PubChem CID 113047638) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea
PubChem CID113047638
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCc1c(Cl)cccc1Nc1ccc(NC(=O)NC(C)C)nn1
InChIInChI=1S/C15H18ClN5O/c1-9(2)17-15(22)19-14-8-7-13(20-21-14)18-12-6-4-5-11(16)10(12)3/h4-9H,1-3H3,(H,18,20)(H2,17,19,21,22)
InChIKeyIYCYAKQGZXDJCV-UHFFFAOYSA-N
XLogP3.71
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
CID 113047604
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124439
(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610007
1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048242
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61183462
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea (CID 113047638) is 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea is Cc1c(Cl)cccc1Nc1ccc(NC(=O)NC(C)C)nn1.
What is the InChIKey of 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The InChIKey is IYCYAKQGZXDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-9(2)17-15(22)19-14-8-7-13(20-21-14)18-12-6-4-5-11(16)10(12)3/h4-9H,1-3H3,(H,18,20)(H2,17,19,21,22).
What are the key properties of 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea?
1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea has a molecular weight of 319.80 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 113047638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).