N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide

C17H17N7O — CID 71869195

IUPACN-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(C2CC2)nn1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H17N7O/c1-11(24-22-16(21-23-24)13-5-3-2-4-6-13)17(25)18-15-10-9-14(19-20-15)12-7-8-12/h2-6,9-12H,7-8H2,1H3,(H,18,20,25)
InChIKeyNYDADCCJTFZHSP-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.21
Rot. Bonds5

About N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide

N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 71869195) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID71869195
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(C2CC2)nn1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H17N7O/c1-11(24-22-16(21-23-24)13-5-3-2-4-6-13)17(25)18-15-10-9-14(19-20-15)12-7-8-12/h2-6,9-12H,7-8H2,1H3,(H,18,20,25)
InChIKeyNYDADCCJTFZHSP-UHFFFAOYSA-N
XLogP2.21
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 95782037
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 75440170
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 97059058
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 1149424
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide (CID 71869195) is N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide is CC(C(=O)Nc1ccc(C2CC2)nn1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is NYDADCCJTFZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11(24-22-16(21-23-24)13-5-3-2-4-6-13)17(25)18-15-10-9-14(19-20-15)12-7-8-12/h2-6,9-12H,7-8H2,1H3,(H,18,20,25).
What are the key properties of N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide?
N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 335.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 71869195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).