5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one

C11H15ClN6O2 — CID 114446277

IUPAC5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCn1ncc(CNc2cnn(CCO)c(=O)c2Cl)c1N
InChIInChI=1S/C11H15ClN6O2/c1-17-10(13)7(5-15-17)4-14-8-6-16-18(2-3-19)11(20)9(8)12/h5-6,14,19H,2-4,13H2,1H3
InChIKeyMDVQCLPVYPXKGS-UHFFFAOYSA-N
MW298.73 g/mol
LogP-0.18
Rot. Bonds5

About 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one

5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114446277) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114446277
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCn1ncc(CNc2cnn(CCO)c(=O)c2Cl)c1N
InChIInChI=1S/C11H15ClN6O2/c1-17-10(13)7(5-15-17)4-14-8-6-16-18(2-3-19)11(20)9(8)12/h5-6,14,19H,2-4,13H2,1H3
InChIKeyMDVQCLPVYPXKGS-UHFFFAOYSA-N
XLogP-0.18
TPSA110.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114446303
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114444841
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
4-chloro-2-(2-hydroxyethyl)-5-[3-(hydroxymethyl)pentan-3-ylamino]pyridazin-3-one
CID 114437198
4-chloro-2-(2-hydroxyethyl)-5-[(1-methylcyclopropyl)amino]pyridazin-3-one
CID 114442535
4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435208
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one (CID 114446277) is 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one is Cn1ncc(CNc2cnn(CCO)c(=O)c2Cl)c1N.
What is the InChIKey of 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is MDVQCLPVYPXKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c1-17-10(13)7(5-15-17)4-14-8-6-16-18(2-3-19)11(20)9(8)12/h5-6,14,19H,2-4,13H2,1H3.
What are the key properties of 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 298.73 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114446277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).