4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one

C10H14ClN7O — CID 114436433

IUPAC4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
SMILESCCCn1ncc(NC(C)c2nn[nH]n2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN7O/c1-3-4-18-10(19)8(11)7(5-12-18)13-6(2)9-14-16-17-15-9/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyQNBKSIXQIDBKOK-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.99
Rot. Bonds5

About 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one

4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one (PubChem CID 114436433) has the molecular formula C10H14ClN7O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
PubChem CID114436433
Molecular FormulaC10H14ClN7O
Molecular Weight283.72 g/mol
Exact Mass283.09
IUPAC Name4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
SMILESCCCn1ncc(NC(C)c2nn[nH]n2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN7O/c1-3-4-18-10(19)8(11)7(5-12-18)13-6(2)9-14-16-17-15-9/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyQNBKSIXQIDBKOK-UHFFFAOYSA-N
XLogP0.99
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
CID 114436429
4-chloro-2-prop-2-enyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
CID 114436426
4-chloro-5-[1-(2H-tetrazol-5-yl)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114436419
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114447317
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one (CID 114436433) is 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one is CCCn1ncc(NC(C)c2nn[nH]n2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one?
The InChIKey is QNBKSIXQIDBKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7O/c1-3-4-18-10(19)8(11)7(5-12-18)13-6(2)9-14-16-17-15-9/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one?
4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one has a molecular weight of 283.72 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114436433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).