3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

C18H20ClN7O2 — CID 44600198

IUPAC3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(Cl)nn2)cc(-n2nnnc2C(C)C)c1
InChIInChI=1S/C18H20ClN7O2/c1-10(2)17-23-24-25-26(17)14-7-12(15-4-5-16(19)22-21-15)6-13(8-14)18(28)20-11(3)9-27/h4-8,10-11,27H,9H2,1-3H3,(H,20,28)
InChIKeyZQRZOFCQWPZMDM-UHFFFAOYSA-N
MW401.86 g/mol
LogP2.01
Rot. Bonds6

About 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (PubChem CID 44600198) has the molecular formula C18H20ClN7O2 and a molecular weight of 401.86 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
PubChem CID44600198
Molecular FormulaC18H20ClN7O2
Molecular Weight401.86 g/mol
Exact Mass401.14
IUPAC Name3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(Cl)nn2)cc(-n2nnnc2C(C)C)c1
InChIInChI=1S/C18H20ClN7O2/c1-10(2)17-23-24-25-26(17)14-7-12(15-4-5-16(19)22-21-15)6-13(8-14)18(28)20-11(3)9-27/h4-8,10-11,27H,9H2,1-3H3,(H,20,28)
InChIKeyZQRZOFCQWPZMDM-UHFFFAOYSA-N
XLogP2.01
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
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3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 91194653
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76642993
3-(5-chloro-2-pyridinyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 66664707
N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90926757
N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide
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3-(5-propan-2-yltetrazol-1-yl)-5-(4-sulfanylphenyl)benzoic acid
CID 157474452
3-[5-[(1S)-1-(dimethylamino)ethyl]-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 91196234
N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide
CID 90759463
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The IUPAC name of 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (CID 44600198) is 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is CC(CO)NC(=O)c1cc(-c2ccc(Cl)nn2)cc(-n2nnnc2C(C)C)c1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The InChIKey is ZQRZOFCQWPZMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O2/c1-10(2)17-23-24-25-26(17)14-7-12(15-4-5-16(19)22-21-15)6-13(8-14)18(28)20-11(3)9-27/h4-8,10-11,27H,9H2,1-3H3,(H,20,28).
What are the key properties of 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide has a molecular weight of 401.86 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is sourced from PubChem (CID 44600198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).