N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide

C8H8ClN7O — CID 110500574

IUPACN-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1CC(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C8H8ClN7O/c1-16-7(13-14-15-16)4-8(17)10-6-3-2-5(9)11-12-6/h2-3H,4H2,1H3,(H,10,12,17)
InChIKeyKLUVLQDKLVWYJA-UHFFFAOYSA-N
MW253.65 g/mol
LogP-0.17
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide

N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide (PubChem CID 110500574) has the molecular formula C8H8ClN7O and a molecular weight of 253.65 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide
PubChem CID110500574
Molecular FormulaC8H8ClN7O
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC NameN-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1CC(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C8H8ClN7O/c1-16-7(13-14-15-16)4-8(17)10-6-3-2-5(9)11-12-6/h2-3H,4H2,1H3,(H,10,12,17)
InChIKeyKLUVLQDKLVWYJA-UHFFFAOYSA-N
XLogP-0.17
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500369
N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500481
2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110500529
N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500527
ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)acetyl]amino]thiophene-3-carboxylate
CID 110503199
2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496908
N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500427
N-butyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110496861
2-(1-methyltetrazol-5-yl)ethanethioic S-acid
CID 20511253
N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
CID 115624553
2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
CID 110870969
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)acetamide
CID 110503150

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide (CID 110500574) is N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide is Cn1nnnc1CC(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is KLUVLQDKLVWYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN7O/c1-16-7(13-14-15-16)4-8(17)10-6-3-2-5(9)11-12-6/h2-3H,4H2,1H3,(H,10,12,17).
What are the key properties of N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide?
N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 253.65 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 110500574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).