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

C10H13ClN6O2 — CID 114446303

IUPAC5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
SMILESNc1[nH]ncc1CNc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C10H13ClN6O2/c11-8-7(5-15-17(1-2-18)10(8)19)13-3-6-4-14-16-9(6)12/h4-5,13,18H,1-3H2,(H3,12,14,16)
InChIKeyOKPUKQVLAWAQTG-UHFFFAOYSA-N
MW284.71 g/mol
LogP-0.19
Rot. Bonds5

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

5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114446303) has the molecular formula C10H13ClN6O2 and a molecular weight of 284.71 g/mol. Its IUPAC name is 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114446303
Molecular FormulaC10H13ClN6O2
Molecular Weight284.71 g/mol
Exact Mass284.08
IUPAC Name5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
SMILESNc1[nH]ncc1CNc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C10H13ClN6O2/c11-8-7(5-15-17(1-2-18)10(8)19)13-3-6-4-14-16-9(6)12/h4-5,13,18H,1-3H2,(H3,12,14,16)
InChIKeyOKPUKQVLAWAQTG-UHFFFAOYSA-N
XLogP-0.19
TPSA121.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114446277
methyl 2-[4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114446280
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 114438849
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114444841
4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one
CID 114434295
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
4-bromo-5-[(2-chlorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432196
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one (CID 114446303) is 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one is Nc1[nH]ncc1CNc1cnn(CCO)c(=O)c1Cl.
What is the InChIKey of 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is OKPUKQVLAWAQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2/c11-8-7(5-15-17(1-2-18)10(8)19)13-3-6-4-14-16-9(6)12/h4-5,13,18H,1-3H2,(H3,12,14,16).
What are the key properties of 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 284.71 g/mol, XLogP of -0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114446303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).